data_1smz_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 1smz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 16' ' ' LEU . 2.6 mm? . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' N ' HD21 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.9 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' N ' HD21 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.3 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.9 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 1.9 pp . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.1 m0 55.04 73.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -175.36 171.29 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.4 OUTLIER -57.31 -22.97 45.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -67.99 -31.16 70.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.02 -64.95 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.99 -21.34 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.72 -57.87 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.582 ' CD1' ' CD2' ' A' ' 10' ' ' LEU . 9.9 p90 -167.92 30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' CD2' ' CD1' ' A' ' 9' ' ' TYR . 2.4 mm? -112.18 13.2 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.76 23.4 11.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.6 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.09 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -64.91 -13.23 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.532 ' N ' ' CD1' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -109.41 -55.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.25 -21.73 3.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -71.73 -29.4 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp -64.86 -23.13 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -131.35 -62.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -135.13 -167.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.65 -27.99 28.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.79 -26.57 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -83.11 -51.36 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.28 -0.11 27.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -33.2 68.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.399 1.062 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 10' ' ' LEU . 5.7 p90 -143.58 27.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 9' ' ' TYR . 9.9 mp -120.89 24.21 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.77 12.98 11.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 16' ' ' LEU . . . -144.4 -44.89 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -18.45 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -109.13 -53.85 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -49.47 -23.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 12' ' ' GLY . 2.6 mm? -65.19 -34.05 77.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp -64.62 -23.19 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.366 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -69.75 102.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -46.57 145.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.62 -27.11 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -79.85 -34.12 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -73.97 -50.56 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.24 -0.09 27.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.33 96.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.52 -13.08 18.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 9' ' ' TYR . 1.5 mm? -113.41 -12.66 12.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -57.0 -52.3 65.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' N ' ' CD2' ' A' ' 11' ' ' LEU . . . -115.51 -30.22 2.28 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.65 11.29 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -136.53 -50.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -24.75 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' CG ' ' HA ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -81.61 -27.97 33.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' N ' HD21 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -61.55 -23.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -165.84 52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 12.3 t -162.08 -152.14 0.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.494 1.122 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.8 mm? -58.61 -20.39 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -63.66 -40.18 96.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -61.37 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -15.52 59.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.26 -57.61 4.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.431 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 32.8 p90 -157.79 32.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 HD13 ' CZ ' ' A' ' 9' ' ' TYR . 4.8 mp -132.83 25.96 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -106.05 -9.41 17.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -134.09 -43.9 0.13 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -41.74 -28.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.476 ' N ' ' CD1' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -121.07 -55.66 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.36 -36.0 41.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -73.42 -26.18 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 1.9 pp -79.05 -32.95 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.2 m0 72.43 54.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 10.0 t -90.69 -144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.98 -22.76 66.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -32.13 72.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -65.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -52.09 -22.24 3.96 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.11 -62.36 1.52 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.529 1.143 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.569 ' CE2' HD13 ' A' ' 10' ' ' LEU . 6.8 p90 -156.65 32.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 9' ' ' TYR . 6.7 mp -127.12 21.57 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -102.09 -4.1 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -147.9 -44.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.42 -28.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -121.29 -55.67 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.1 -36.56 40.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.221 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -71.43 -26.24 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' CD1' ' CD2' ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp -65.27 -22.72 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -131.26 67.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -115.05 171.32 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -63.88 -15.74 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 1.5 t-20 -76.24 -33.35 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -56.68 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.53 9.98 16.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.4 -52.05 6.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.548 ' CD2' HD13 ' A' ' 10' ' ' LEU . 36.5 p90 -159.56 33.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 ' CD2' ' A' ' 9' ' ' TYR . 5.5 mp -130.76 24.74 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.35 -41.34 9.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -73.35 -38.61 52.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -21.8 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -113.36 -53.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -47.43 -25.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -66.19 -40.78 90.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ILE . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp -62.6 -23.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.0 m0 78.5 53.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.8 t -92.58 -148.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.16 -22.52 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -64.55 -34.64 78.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -60.65 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -16.58 27.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.86 -40.13 1.01 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.61 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 20.7 p90 -121.23 -5.8 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.61 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -95.29 33.08 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.83 -11.14 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -126.14 -51.68 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.1 mtpp -41.25 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -43.82 -59.52 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 11.1 t-20 -43.08 -31.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -65.49 -49.04 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -60.55 -21.71 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -126.29 -64.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 ' CG2' ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -165.41 170.56 14.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.5 mm? -117.58 -38.81 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -18.49 58.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -98.69 -52.91 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.81 0.29 27.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.27 -59.64 3.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.695 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 9.5 p90 -65.26 -11.24 39.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.695 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 28.5 mt -92.03 45.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -110.72 -54.94 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.7 -29.15 57.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -29.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -120.99 -55.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -37.96 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' HB2' ' CA ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -73.14 -26.86 61.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ILE . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt -67.4 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -174.93 105.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 10.3 t -119.32 -154.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.2 mm? -62.79 -23.18 67.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -69.96 -29.29 66.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -77.15 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.71 -13.9 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -52.7 36.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD2' HD23 ' A' ' 10' ' ' LEU . 3.6 p90 -154.9 30.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 9' ' ' TYR . 13.8 mt -138.22 24.24 2.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -96.65 -46.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 11' ' ' LEU . . . -104.52 -32.62 4.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.57 2.93 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 109.231 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -122.55 -55.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -24.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.05 -39.03 83.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pp -51.11 -22.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 24' ' ' LYS . 1.2 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.0 140.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -40.26 144.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -98.86 -27.34 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -79.71 -34.16 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.59 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.071 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.44 0.07 27.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.32 -36.61 38.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 1.4 t80 -103.83 -20.21 14.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 0.786 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 10' ' ' LEU . 4.0 mm? -95.15 47.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -114.96 -45.38 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 14' ' ' ILE . . . -72.85 -36.63 57.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -40.84 -29.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -109.63 -52.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -47.91 -24.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -39.83 91.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ILE . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -59.33 -23.36 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' N ' ' OG ' ' A' ' 6' ' ' SER . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -77.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 12.6 t -160.65 -148.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.0 mm? -54.34 -23.1 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -65.63 -60.55 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.1 -15.42 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.31 -48.95 2.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -162.47 30.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CG1' ' A' ' 14' ' ' ILE . 2.4 mp -127.04 14.01 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.34 2.7 48.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -105.84 -59.28 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.37 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 13.0 t-20 -45.66 -34.27 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -58.06 -41.23 82.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.528 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.9 pp -50.13 -23.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' THR . 42.9 m95 -45.38 154.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' TRP . 7.3 p -37.21 155.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -107.65 -28.2 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -83.1 -32.78 26.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -77.01 -47.35 20.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.15 -0.04 26.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -34.35 66.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.8 p90 -106.35 23.24 14.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 9' ' ' TYR . 4.5 mm? -105.79 -26.97 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.68 41.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.7 -42.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -59.81 -16.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -108.97 -56.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.62 -38.23 77.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.23 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 27' ' ' LEU . 2.3 pp -88.66 -36.2 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.59 63.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 10.7 t -157.6 -147.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.0 mm? -57.37 -18.9 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -42.33 98.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -63.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -20.19 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.88 -45.85 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 13.1 p90 -133.86 28.93 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 6.8 mp -119.08 -41.08 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.214 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 3.6 pp -42.29 -45.7 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' N ' HD11 ' A' ' 11' ' ' LEU . . . -61.05 -52.93 49.11 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -51.21 -62.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.87 -54.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 11.7 t-20 -49.51 -24.61 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.79 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -62.14 -18.68 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.3 m0 65.59 95.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -156.53 171.21 20.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.3 OUTLIER -73.47 -22.94 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.95 -22.98 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.13 -59.58 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.31 14.64 10.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.73 -46.93 5.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -85.67 -26.65 25.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 10' ' ' LEU . 3.9 mm? -76.81 -14.37 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.34 -70.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -118.31 -11.66 7.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 1.2 mtpm? 71.06 -53.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -105.49 -48.53 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.27 -21.75 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -29.91 58.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -62.6 -21.87 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -111.33 -45.28 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.462 ' C ' ' N ' ' A' ' 5' ' ' ASN . 0.4 OUTLIER -95.09 -28.55 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -38.49 -31.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 3' ' ' THR . 93.9 m-20 -44.43 -26.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.582 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -61.18 -59.82 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.975 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.35 -12.21 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.86 -31.27 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.582 ' CE2' ' O ' ' A' ' 6' ' ' SER . 53.5 p90 -118.87 26.67 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD23 ' CD2' ' A' ' 16' ' ' LEU . 4.1 mt -139.11 14.61 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.71 11.75 16.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.34 -18.96 5.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 79.36 -52.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.34 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -46.21 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -52.83 -25.47 11.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' CD2' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -71.35 -27.24 63.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -55.73 -20.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 71.28 75.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -155.27 170.85 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 3' ' ' THR . 1.8 mm? -137.14 -46.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.373 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.39 -18.83 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 -56.73 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.87 36.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -59.46 -18.24 43.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 10' ' ' LEU . 5.4 t80 -120.23 -5.93 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 9' ' ' TYR . 2.3 mm? -112.39 15.3 20.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.7 OUTLIER -81.17 -24.67 37.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -62.15 -56.54 21.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -46.09 -63.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.18 -54.79 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.9 t-20 -49.98 -24.79 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -65.86 -33.26 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp -62.0 -23.52 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.91 66.19 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.404 ' OG1' ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -144.64 -82.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 72.71 -55.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.95 -16.94 20.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 61.4 m -77.62 -62.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.44 48.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.81 -54.61 27.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.679 ' CD2' ' CD2' ' A' ' 10' ' ' LEU . 4.0 t80 -70.2 -18.66 63.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 110.993 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 3.9 mm? -112.91 34.02 4.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -38.61 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.27 58.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -59.65 -16.3 25.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -119.23 -52.89 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' LEU . 17.9 t-20 -39.66 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -57.82 -53.59 56.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp -64.33 -23.02 32.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -93.29 84.47 4.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.486 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -45.34 170.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -132.56 -46.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.61 -18.66 62.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -101.02 -52.92 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.35 -53.7 8.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' SER . 5.8 p90 -74.74 -1.92 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 0.831 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 9' ' ' TYR . 12.2 mt -105.07 -34.88 7.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -41.68 -46.21 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.93 49.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 18.8 mttt -51.38 -62.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.1 -54.59 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 21.9 t-20 -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -63.52 -32.38 73.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' CD2' ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp -62.33 -23.52 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.59 60.07 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -63.98 144.98 56.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -98.73 -27.28 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -79.75 -34.15 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -50.73 19.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.1 27.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -54.93 33.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.498 ' CD1' HD21 ' A' ' 10' ' ' LEU . 19.4 p90 -164.51 28.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD21 ' CD1' ' A' ' 9' ' ' TYR . 1.8 mt -109.76 15.13 22.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.39 -54.23 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -119.9 -10.67 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.7 mtpt 71.04 -53.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -105.81 -48.37 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.2 t-20 -45.88 -26.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -61.17 -42.05 97.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' ILE . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' N ' HD21 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.436 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.3 pp -58.84 -22.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 26' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -173.58 44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' TRP . 3.0 p 44.96 -170.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.463 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -99.28 -18.33 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -90.73 -20.65 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -96.01 -49.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' TRP . . . -87.22 12.56 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.69 7.6 22.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -114.96 -28.16 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.034 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.533 HD21 ' CD2' ' A' ' 9' ' ' TYR . 2.4 pt? -118.33 27.36 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.45 -17.39 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -114.18 -47.82 0.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.3 mttt -44.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -42.9 -57.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.199 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.96 -36.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -54.35 -45.75 72.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -63.24 -22.88 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -138.07 150.7 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' ' 6' ' ' SER . 71.1 p -48.1 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.99 -33.12 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -86.17 -25.11 25.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 0.1 OUTLIER -94.8 -43.56 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -79.01 1.33 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.66 -57.54 9.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.566 ' CE2' HD11 ' A' ' 10' ' ' LEU . 2.3 p90 -153.56 32.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 9' ' ' TYR . 5.3 mp -136.24 39.71 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -114.9 -38.78 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.93 -12.05 8.02 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . 6.0 mmtp 77.75 -54.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -58.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' ASN . 2.4 t-20 -47.59 -27.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.27 -54.5 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 1.9 pp -79.89 -35.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -176.73 48.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -176.32 171.57 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.77 -26.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.421 ' N ' ' C ' ' A' ' 3' ' ' THR . 1.1 m120 -52.24 -28.41 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -53.35 36.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 -0.36 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.81 -51.81 55.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD1' HD23 ' A' ' 10' ' ' LEU . 13.0 p90 -166.87 34.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 0.781 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD23 ' CD1' ' A' ' 9' ' ' TYR . 12.7 mt -118.49 -40.75 2.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -41.3 -46.29 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.92 48.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -51.42 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.95 -54.31 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.0 t-20 -48.94 -25.3 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -37.79 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' LEU . 2.4 pp -80.68 -34.49 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.51 64.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -168.66 177.9 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.1 mm? -39.6 -30.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' N ' ' C ' ' A' ' 3' ' ' THR . 2.0 t30 -56.9 -53.21 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -56.87 -60.33 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -16.19 28.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -39.68 -58.92 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 3.7 p90 -168.73 35.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 3.4 mm? -116.68 -46.17 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -41.42 -46.43 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.94 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -51.32 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 0.724 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.89 -54.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 9.5 t-20 -49.09 -25.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -37.14 78.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 1.9 pp -79.97 -32.97 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.229 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -152.97 -73.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 10.8 t -169.2 -153.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.6 mm? -61.4 -18.02 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.19 -17.78 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -84.97 -59.35 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.945 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.55 17.74 6.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -86.25 -31.62 19.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 32.3 p90 -126.29 2.63 7.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.8 mp -88.26 -19.97 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' O ' ' CD1' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -105.82 48.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ILE . . . -172.76 -35.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' CG ' HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -38.55 -30.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -134.13 -52.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -37.49 -48.1 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -62.36 -50.34 71.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -64.08 -23.17 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' THR . 3.3 t-105 -172.36 135.92 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 6' ' ' SER . 47.0 p -37.6 -52.51 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.42 -54.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.56 -33.08 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.573 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 15.1 m -75.1 -45.83 38.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.54 0.17 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.13 93.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 6' ' ' SER . 16.4 p90 -102.67 22.16 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 9' ' ' TYR . 10.0 mp -108.14 -10.68 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.25 25.04 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -124.55 -39.74 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -40.76 -29.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -113.41 -55.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 8.9 t-20 -48.81 -44.28 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -60.26 -28.43 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ILE . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -61.82 -23.4 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.78 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.674 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.69 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.782 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.63 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD1' HD21 ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.799 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.812 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.804 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.892 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' N ' HD13 ' A' ' 16' ' ' LEU . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.886 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' N ' HD13 ' A' ' 16' ' ' LEU . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.924 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.789 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.9 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.817 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.775 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.912 HD23 HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.525 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.781 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.681 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.81 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.863 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.791 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.806 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.3 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.758 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.804 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.807 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.643 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.817 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HG3' HG23 ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.782 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.745 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.794 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.631 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.985 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.985 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.8 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.8 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.1 m0 55.04 73.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -175.36 171.29 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.4 OUTLIER -57.31 -22.97 45.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -67.99 -31.16 70.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.02 -64.95 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.99 -21.34 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.72 -57.87 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CE1' HD21 ' A' ' 10' ' ' LEU . 9.9 p90 -167.92 30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.877 ' C ' HD11 ' A' ' 14' ' ' ILE . 2.4 mm? -112.18 13.2 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.76 23.4 11.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' HD23 ' A' ' 16' ' ' LEU . . . -151.6 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.09 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -64.91 -13.23 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.877 HD11 ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -109.41 -55.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.25 -21.73 3.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -71.73 -29.4 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp -64.86 -23.13 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -131.35 -62.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -135.13 -167.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.65 -27.99 28.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.79 -26.57 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.94 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -83.11 -51.36 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.28 -0.11 27.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -33.2 68.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.399 1.062 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 5.7 p90 -143.58 27.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.94 HD13 ' O ' ' A' ' 6' ' ' SER . 9.9 mp -120.89 24.21 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.77 12.98 11.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 16' ' ' LEU . . . -144.4 -44.89 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -56.81 -18.45 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.935 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -109.13 -53.85 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -49.47 -23.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 12' ' ' GLY . 2.6 mm? -65.19 -34.05 77.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.674 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp -64.62 -23.19 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.366 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -69.75 102.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -46.57 145.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.9 mm? -98.62 -27.11 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -79.85 -34.12 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -73.97 -50.56 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.24 -0.09 27.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.33 96.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 1.12 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.52 -13.08 18.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.12 HD23 ' CZ ' ' A' ' 9' ' ' TYR . 1.5 mm? -113.41 -12.66 12.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.98 HD23 ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -57.0 -52.3 65.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.98 ' N ' HD23 ' A' ' 11' ' ' LEU . . . -115.51 -30.22 2.28 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.65 11.29 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -136.53 -50.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -24.75 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.61 -27.97 33.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.69 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -61.55 -23.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -165.84 52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 5' ' ' ASN . 12.3 t -162.08 -152.14 0.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.494 1.122 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.8 mm? -58.61 -20.39 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 3' ' ' THR . 1.1 t30 -63.66 -40.18 96.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -61.37 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -15.52 59.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.26 -57.61 4.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.598 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 32.8 p90 -157.79 32.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 4.8 mp -132.83 25.96 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -106.05 -9.41 17.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -134.09 -43.9 0.13 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.1 mttp -41.74 -28.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.665 ' N ' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -121.07 -55.66 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 1.9 t-20 -51.36 -36.0 41.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -73.42 -26.18 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.782 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.05 -32.95 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.2 m0 72.43 54.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.0 t -90.69 -144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.98 -22.76 66.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.656 ' H ' HG23 ' A' ' 3' ' ' THR . 0.6 OUTLIER -61.91 -32.13 72.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -65.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.597 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -52.09 -22.24 3.96 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.11 -62.36 1.52 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.529 1.143 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 6.8 p90 -156.65 32.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 6.7 mp -127.12 21.57 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -102.09 -4.1 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -147.9 -44.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.42 -28.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -121.29 -55.67 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -51.1 -36.56 40.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.221 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -71.43 -26.24 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD1' HD21 ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp -65.27 -22.72 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -131.26 67.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -115.05 171.32 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -63.88 -15.74 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.724 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.5 t-20 -76.24 -33.35 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -56.68 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.53 9.98 16.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.4 -52.05 6.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.637 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 36.5 p90 -159.56 33.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 5' ' ' ASN . 5.5 mp -130.76 24.74 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.35 -41.34 9.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -73.35 -38.61 52.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -21.8 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -113.36 -53.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -47.43 -25.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.19 -40.78 90.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ILE . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp -62.6 -23.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.0 m0 78.5 53.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 4' ' ' LEU . 13.8 t -92.58 -148.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' THR . 2.9 mm? -52.16 -22.52 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' H ' HG23 ' A' ' 3' ' ' THR . 5.4 m120 -64.55 -34.64 78.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -60.65 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -16.58 27.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.86 -40.13 1.01 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.889 ' CE2' HD13 ' A' ' 10' ' ' LEU . 20.7 p90 -121.23 -5.8 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -95.29 33.08 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.83 -11.14 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -126.14 -51.68 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.1 mtpp -41.25 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.82 -59.52 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 11.1 t-20 -43.08 -31.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -65.49 -49.04 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.786 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -60.55 -21.71 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -126.29 -64.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.557 HG21 ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -165.41 170.56 14.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' C ' ' A' ' 3' ' ' THR . 4.5 mm? -117.58 -38.81 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -18.49 58.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -98.69 -52.91 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -78.81 0.29 27.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.27 -59.64 3.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.695 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 9.5 p90 -65.26 -11.24 39.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.695 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 28.5 mt -92.03 45.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -110.72 -54.94 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.844 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -56.7 -29.15 57.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -29.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -120.99 -55.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -37.96 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -73.14 -26.86 61.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ILE . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt -67.4 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -174.93 105.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.797 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.3 t -119.32 -154.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.2 mm? -62.79 -23.18 67.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.797 ' H ' HG23 ' A' ' 3' ' ' THR . 3.4 t30 -69.96 -29.29 66.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -77.15 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.71 -13.9 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -52.7 36.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.651 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.6 p90 -154.9 30.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 9' ' ' TYR . 13.8 mt -138.22 24.24 2.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -96.65 -46.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.921 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -104.52 -32.62 4.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.57 2.93 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 109.231 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -122.55 -55.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -24.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.892 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.05 -39.03 83.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.886 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 27' ' ' LEU . 2.8 pp -51.11 -22.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.0 140.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -40.26 144.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.4 mm? -98.86 -27.34 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -79.71 -34.16 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.59 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.071 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.44 0.07 27.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -76.32 -36.61 38.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 1.4 t80 -103.83 -20.21 14.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 0.786 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.0 mm? -95.15 47.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.761 HD22 ' O ' ' A' ' 8' ' ' GLY . 1.4 pt? -114.96 -45.38 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 14' ' ' ILE . . . -72.85 -36.63 57.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -40.84 -29.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -109.63 -52.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -47.91 -24.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 -39.83 91.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ILE . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.781 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -59.33 -23.36 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -77.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 4' ' ' LEU . 12.6 t -160.65 -148.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' N ' HG23 ' A' ' 3' ' ' THR . 2.0 mm? -54.34 -23.1 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.495 ' H ' HG23 ' A' ' 3' ' ' THR . 59.2 t30 -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.574 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -65.63 -60.55 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -61.1 -15.42 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.31 -48.95 2.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -162.47 30.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 6' ' ' SER . 2.4 mp -127.04 14.01 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.889 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.34 2.7 48.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -105.84 -59.28 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.37 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 13.0 t-20 -45.66 -34.27 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -58.06 -41.23 82.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.924 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 27' ' ' LEU . 2.9 pp -50.13 -23.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' THR . 42.9 m95 -45.38 154.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' TRP . 7.3 p -37.21 155.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -107.65 -28.2 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -83.1 -32.78 26.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -77.01 -47.35 20.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -78.15 -0.04 26.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -34.35 66.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.8 p90 -106.35 23.24 14.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 6' ' ' SER . 4.5 mm? -105.79 -26.97 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.68 41.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.7 -42.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -59.81 -16.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -108.97 -56.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.986 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.62 -38.23 77.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.23 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.3 pp -88.66 -36.2 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.728 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.59 63.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.7 t -157.6 -147.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 3' ' ' THR . 4.0 mm? -57.37 -18.9 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.512 ' H ' HG23 ' A' ' 3' ' ' THR . 0.9 OUTLIER -61.3 -42.33 98.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -63.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -20.19 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.88 -45.85 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' O ' HD12 ' A' ' 10' ' ' LEU . 13.1 p90 -133.86 28.93 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 9' ' ' TYR . 6.8 mp -119.08 -41.08 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.214 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HA ' HD11 ' A' ' 14' ' ' ILE . 3.6 pp -42.29 -45.7 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' LEU . . . -61.05 -52.93 49.11 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -51.21 -62.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.87 -54.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 11.7 t-20 -49.51 -24.61 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.79 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.775 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.787 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.7 pp -62.14 -18.68 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.3 m0 65.59 95.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -156.53 171.21 20.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.3 OUTLIER -73.47 -22.94 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.95 -22.98 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.612 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -71.13 -59.58 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.31 14.64 10.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.73 -46.93 5.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD2' HD22 ' A' ' 10' ' ' LEU . 1.2 t80 -85.67 -26.65 25.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 6' ' ' SER . 3.9 mm? -76.81 -14.37 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -40.34 -70.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -118.31 -11.66 7.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 1.2 mtpm? 71.06 -53.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -105.49 -48.53 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.27 -21.75 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -29.91 58.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD12 ' C ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -62.6 -21.87 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -111.33 -45.28 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' C ' ' N ' ' A' ' 5' ' ' ASN . 0.4 OUTLIER -95.09 -28.55 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -38.49 -31.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 3' ' ' THR . 93.9 m-20 -44.43 -26.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.582 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -61.18 -59.82 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.975 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.35 -12.21 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.86 -31.27 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CE1' HD21 ' A' ' 10' ' ' LEU . 53.5 p90 -118.87 26.67 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD21 ' CE1' ' A' ' 9' ' ' TYR . 4.1 mt -139.11 14.61 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.71 11.75 16.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.34 -18.96 5.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 79.36 -52.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.34 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -46.21 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.615 ' O ' HD13 ' A' ' 19' ' ' LEU . 9.6 t-20 -52.83 -25.47 11.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.35 -27.24 63.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.912 HD23 HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.525 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.7 pp -55.73 -20.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 71.28 75.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.935 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -155.27 170.85 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.935 HD22 ' C ' ' A' ' 3' ' ' THR . 1.8 mm? -137.14 -46.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.373 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.39 -18.83 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 -56.73 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.87 36.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -59.46 -18.24 43.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 10' ' ' LEU . 5.4 t80 -120.23 -5.93 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 9' ' ' TYR . 2.3 mm? -112.39 15.3 20.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -81.17 -24.67 37.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -62.15 -56.54 21.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -46.09 -63.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.18 -54.79 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.9 t-20 -49.98 -24.79 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -65.86 -33.26 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.781 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.681 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp -62.0 -23.52 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.91 66.19 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.64 -82.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.716 ' H ' HG23 ' A' ' 3' ' ' THR . 0.2 OUTLIER 72.71 -55.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.95 -16.94 20.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' CB ' ' HG1' ' A' ' 3' ' ' THR . 61.4 m -77.62 -62.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.44 48.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.81 -54.61 27.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.679 ' CD2' ' CD2' ' A' ' 10' ' ' LEU . 4.0 t80 -70.2 -18.66 63.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 110.993 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 3.9 mm? -112.91 34.02 4.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -38.61 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.27 58.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -59.65 -16.3 25.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -119.23 -52.89 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' LEU . 17.9 t-20 -39.66 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -57.82 -53.59 56.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp -64.33 -23.02 32.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.511 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -93.29 84.47 4.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 1.005 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -45.34 170.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD13 ' C ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -132.56 -46.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.61 -18.66 62.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -101.02 -52.92 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.35 -53.7 8.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' SER . 5.8 p90 -74.74 -1.92 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 0.831 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' CE1' ' A' ' 9' ' ' TYR . 12.2 mt -105.07 -34.88 7.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -41.68 -46.21 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.93 49.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 18.8 mttt -51.38 -62.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.1 -54.59 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 21.9 t-20 -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.52 -32.38 73.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.863 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -62.33 -23.52 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.59 60.07 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -63.98 144.98 56.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.968 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -98.73 -27.28 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.652 ' N ' HD13 ' A' ' 4' ' ' LEU . 6.2 t-20 -79.75 -34.15 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -73.59 -50.73 19.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.1 27.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -54.93 33.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 10' ' ' LEU . 19.4 p90 -164.51 28.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 9' ' ' TYR . 1.8 mt -109.76 15.13 22.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.39 -54.23 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -119.9 -10.67 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.7 mtpt 71.04 -53.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -105.81 -48.37 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.2 t-20 -45.88 -26.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.17 -42.05 97.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' ILE . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.3 pp -58.84 -22.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -173.58 44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' TRP . 3.0 p 44.96 -170.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.463 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -99.28 -18.33 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -90.73 -20.65 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -96.01 -49.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' TRP . . . -87.22 12.56 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.69 7.6 22.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -114.96 -28.16 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.034 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.4 pt? -118.33 27.36 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.764 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.45 -17.39 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -114.18 -47.82 0.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.3 mttt -44.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -42.9 -57.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.199 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.96 -36.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -54.35 -45.75 72.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.758 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -63.24 -22.88 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -138.07 150.7 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.773 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 71.1 p -48.1 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.99 -33.12 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -86.17 -25.11 25.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 0.1 OUTLIER -94.8 -43.56 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 3' ' ' THR . . . -79.01 1.33 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.66 -57.54 9.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CG ' HD13 ' A' ' 19' ' ' LEU . 2.3 p90 -153.56 32.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 9' ' ' TYR . 5.3 mp -136.24 39.71 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -114.9 -38.78 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.93 -12.05 8.02 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . 6.0 mmtp 77.75 -54.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -58.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -47.59 -27.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.27 -54.5 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.89 -35.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.767 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -176.73 48.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -176.32 171.57 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.77 -26.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.698 ' HB2' HG23 ' A' ' 3' ' ' THR . 1.1 m120 -52.24 -28.41 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -53.35 36.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 -0.36 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.81 -51.81 55.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.569 ' CE1' HD21 ' A' ' 10' ' ' LEU . 13.0 p90 -166.87 34.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 0.781 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 9' ' ' TYR . 12.7 mt -118.49 -40.75 2.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -41.3 -46.29 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.92 48.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -51.42 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.95 -54.31 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 27.7 t30 -48.94 -25.3 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -74.98 -37.79 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HG3' HG23 ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.4 pp -80.68 -34.49 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.51 64.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -168.66 177.9 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.1 mm? -39.6 -30.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' HB2' HG23 ' A' ' 3' ' ' THR . 2.0 t30 -56.9 -53.21 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -56.87 -60.33 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -16.19 28.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -39.68 -58.92 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 3.7 p90 -168.73 35.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 3.4 mm? -116.68 -46.17 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.633 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -41.42 -46.43 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.94 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -51.32 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 0.724 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.89 -54.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 9.5 t-20 -49.09 -25.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -37.14 78.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.782 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.745 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.97 -32.97 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.229 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -152.97 -73.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.8 t -169.2 -153.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.6 mm? -61.4 -18.02 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.712 ' H ' HG23 ' A' ' 3' ' ' THR . 89.3 m-20 -67.19 -17.78 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -84.97 -59.35 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.945 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.55 17.74 6.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -86.25 -31.62 19.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 32.3 p90 -126.29 2.63 7.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.8 mp -88.26 -19.97 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -105.82 48.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ILE . . . -172.76 -35.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.55 -30.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -134.13 -52.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -37.49 -48.1 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.985 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -62.36 -50.34 71.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.985 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -64.08 -23.17 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HB3' HD23 ' A' ' 4' ' ' LEU . 3.3 t-105 -172.36 135.92 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 6' ' ' SER . 47.0 p -37.6 -52.51 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 72.42 -54.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.56 -33.08 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 10' ' ' LEU . 15.1 m -75.1 -45.83 38.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.54 0.17 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.13 93.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.665 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 16.4 p90 -102.67 22.16 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 10.0 mp -108.14 -10.68 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.81 HD23 ' C ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.25 25.04 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -124.55 -39.74 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -40.76 -29.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -113.41 -55.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 8.9 t-20 -48.81 -44.28 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -60.26 -28.43 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ILE . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -61.82 -23.4 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.674 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.69 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.673 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.63 HD12 ' C ' ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD1' HD21 ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.68 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.892 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' N ' HD13 ' A' ' 16' ' ' LEU . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.886 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.8 pp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' N ' HD13 ' A' ' 16' ' ' LEU . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.924 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.924 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.9 pp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.986 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.3 pp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.912 HD23 HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.525 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.681 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.863 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.3 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.758 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.764 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HG3' HG23 ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.4 pp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.745 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.631 HD12 ' C ' ' A' ' 26' ' ' ILE . 1.9 pp . . . . . 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.985 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.985 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.747 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.1 m0 55.04 73.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -175.36 171.29 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.4 OUTLIER -57.31 -22.97 45.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -67.99 -31.16 70.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.02 -64.95 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.946 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.99 -21.34 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.72 -57.87 1.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CE1' HD21 ' A' ' 10' ' ' LEU . 9.9 p90 -167.92 30.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.877 ' C ' HD11 ' A' ' 14' ' ' ILE . 2.4 mm? -112.18 13.2 20.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -116.76 23.4 11.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' O ' HD23 ' A' ' 16' ' ' LEU . . . -151.6 -44.54 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.443 1.09 . . . . 0.0 111.055 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -64.91 -13.23 56.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.877 HD11 ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -109.41 -55.4 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.232 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -52.25 -21.73 3.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -71.73 -29.4 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' ILE . 14.7 mttt -79.65 -44.36 21.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.05 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.69 -38.81 92.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.1 -22.71 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.35 -33.41 17.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.3 -29.79 42.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.29 -19.5 36.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -84.21 -25.54 29.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 2.7 ptmt -83.63 -49.97 8.66 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.108 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.1 pp -64.86 -23.13 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -131.35 -62.67 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -135.13 -167.7 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.65 -27.99 28.73 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.79 -26.57 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.94 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -83.11 -51.36 7.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.28 -0.11 27.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.12 -33.2 68.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.399 1.062 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.568 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 5.7 p90 -143.58 27.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.94 HD13 ' O ' ' A' ' 6' ' ' SER . 9.9 mp -120.89 24.21 10.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.915 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.77 12.98 11.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.331 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 16' ' ' LEU . . . -144.4 -44.89 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD2' HG23 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -56.81 -18.45 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.935 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -109.13 -53.85 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -49.47 -23.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 12' ' ' GLY . 2.6 mm? -65.19 -34.05 77.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' ILE . 20.9 mttt -79.96 -44.73 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.77 -25.31 64.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.56 -39.99 92.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.586 1.179 . . . . 0.0 109.286 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.674 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.18 -23.08 63.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.53 -33.8 17.62 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -78.34 -29.43 47.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.24 -20.31 34.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -83.91 -25.71 29.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 32.4 pttt -83.45 -50.05 8.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.2 pp -64.62 -23.19 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.17 . . . . 0.0 109.366 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -69.75 102.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -46.57 145.0 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.9 mm? -98.62 -27.11 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.237 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -79.85 -34.12 39.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -73.97 -50.56 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.24 -0.09 27.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.85 -39.33 96.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 1.12 ' CZ ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.52 -13.08 18.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.12 HD23 ' CZ ' ' A' ' 9' ' ' TYR . 1.5 mm? -113.41 -12.66 12.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.98 HD23 ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -57.0 -52.3 65.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.98 ' N ' HD23 ' A' ' 11' ' ' LEU . . . -115.51 -30.22 2.28 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.65 11.29 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -136.53 -50.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -24.75 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.529 HD13 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -81.61 -27.97 33.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -68.16 -43.56 77.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.87 -25.31 62.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.0 -38.99 93.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.69 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -60.95 -22.64 64.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.069 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.49 -33.44 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.399 1.062 . . . . 0.0 109.372 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.2 -29.58 42.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.41 -20.19 34.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.66 -26.15 30.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.32 -47.87 11.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -61.55 -23.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -165.84 52.16 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 5' ' ' ASN . 12.3 t -162.08 -152.14 0.23 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.494 1.122 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.8 mm? -58.61 -20.39 46.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.664 ' H ' HG23 ' A' ' 3' ' ' THR . 1.1 t30 -63.66 -40.18 96.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.94 -61.37 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.03 -15.52 59.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.26 -57.61 4.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.598 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 32.8 p90 -157.79 32.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.8 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 4.8 mp -132.83 25.96 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' CB ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -106.05 -9.41 17.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -134.09 -43.9 0.13 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' C ' HD13 ' A' ' 14' ' ' ILE . 22.1 mttp -41.74 -28.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD13 ' N ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -121.07 -55.66 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.36 -36.0 41.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -73.42 -26.18 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -75.19 -44.12 48.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -26.26 63.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.86 -38.53 91.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.22 -22.98 65.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -33.34 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.53 -29.24 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -84.11 -18.21 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -85.69 -26.0 26.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.4 pttm -77.72 -49.64 14.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.386 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.05 -32.95 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.2 m0 72.43 54.22 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.0 t -90.69 -144.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.98 -22.76 66.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.656 ' H ' HG23 ' A' ' 3' ' ' THR . 0.6 OUTLIER -61.91 -32.13 72.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -65.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.597 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -52.09 -22.24 3.96 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.11 -62.36 1.52 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.529 1.143 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.482 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 6.8 p90 -156.65 32.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.75 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 6.7 mp -127.12 21.57 6.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -102.09 -4.1 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 16' ' ' LEU . . . -147.9 -44.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.42 -28.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -121.29 -55.67 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -51.1 -36.56 40.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 109.221 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -71.43 -26.24 62.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' ILE . 12.9 mmtt -75.92 -44.81 38.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -30.43 71.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.769 ' CD1' HD21 ' A' ' 22' ' ' LEU . 7.4 tp -58.39 -53.54 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -58.78 -17.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 -38.37 12.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.799 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.81 -29.82 56.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.78 -20.1 36.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 1.2 mmtt -84.01 -25.68 29.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -83.61 -50.0 8.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.0 pp -65.27 -22.72 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -131.26 67.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -115.05 171.32 7.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.373 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -63.88 -15.74 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.724 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.5 t-20 -76.24 -33.35 59.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -56.68 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.586 1.179 . . . . 0.0 110.034 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.53 9.98 16.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.4 -52.05 6.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.637 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 36.5 p90 -159.56 33.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 0.732 . . . . 0.0 110.985 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 5' ' ' ASN . 5.5 mp -130.76 24.74 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -93.35 -41.34 9.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -73.35 -38.61 52.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -21.8 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -113.36 -53.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -47.43 -25.07 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.19 -40.78 90.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ILE . 11.0 mttt -68.46 -44.15 75.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.25 67.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.97 -51.33 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.11 -23.73 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.44 -34.51 17.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.238 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.43 -28.01 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.01 -21.53 31.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.9 mmtm -83.25 -25.82 31.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.57 -49.75 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.371 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.6 pp -62.6 -23.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 8.0 m0 78.5 53.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 4' ' ' LEU . 13.8 t -92.58 -148.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' THR . 2.9 mm? -52.16 -22.52 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' H ' HG23 ' A' ' 3' ' ' THR . 8.9 m-80 -64.55 -34.64 78.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -60.65 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.67 -16.58 27.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.86 -40.13 1.01 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.889 ' CE2' HD13 ' A' ' 10' ' ' LEU . 20.7 p90 -121.23 -5.8 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.889 HD13 ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -95.29 33.08 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.83 -11.14 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -126.14 -51.68 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.1 mtpp -41.25 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.82 -59.52 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 11.1 t-20 -43.08 -31.01 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -65.49 -49.04 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.8 mmtt -63.8 -43.51 96.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.38 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.27 -25.31 62.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.36 -38.76 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.68 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.09 -23.02 65.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.24 -33.27 18.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.36 -29.64 42.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.72 -19.05 35.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -84.4 -26.09 28.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -81.05 -47.58 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -60.55 -21.71 23.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.323 -0.547 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -126.29 -64.98 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.557 HG21 ' CB ' ' A' ' 6' ' ' SER . 0.1 OUTLIER -165.41 170.56 14.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 HD22 ' C ' ' A' ' 3' ' ' THR . 4.5 mm? -117.58 -38.81 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.41 -18.49 58.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.59 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -98.69 -52.91 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -78.81 0.29 27.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.27 -59.64 3.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.695 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 9.5 p90 -65.26 -11.24 39.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.695 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 28.5 mt -92.03 45.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.844 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -110.72 -54.94 2.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.844 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -56.7 -29.15 57.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.19 -29.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' N ' ' C ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -120.99 -55.63 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -37.96 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HB2' ' CA ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -73.14 -26.86 61.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.591 1.182 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 14' ' ' ILE . 15.8 mmtm -71.06 -43.62 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.17 -36.68 80.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD13 HD21 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -55.45 -33.03 63.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.48 ' O ' ' CG ' ' A' ' 24' ' ' LYS . . . -72.44 -26.24 61.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.96 -41.06 14.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -73.24 -28.8 62.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 19' ' ' LEU . . . -84.51 -19.0 33.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.238 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 6.3 mttp -88.94 -27.77 20.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -76.56 -50.9 12.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 3.0 pt -67.4 -40.3 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -174.93 105.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.797 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.3 t -119.32 -154.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.362 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.2 mm? -62.79 -23.18 67.1 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.797 ' H ' HG23 ' A' ' 3' ' ' THR . 3.4 t30 -69.96 -29.29 66.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -77.15 -61.34 2.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.71 -13.9 62.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.57 -52.7 36.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.651 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.6 p90 -154.9 30.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 9' ' ' TYR . 13.8 mt -138.22 24.24 2.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.921 HD13 ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -96.65 -46.23 6.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.921 ' N ' HD13 ' A' ' 11' ' ' LEU . . . -104.52 -32.62 4.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.57 2.93 3.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 109.231 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -122.55 -55.79 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -48.91 -24.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.892 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -68.05 -39.03 83.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.0 mmmt -69.18 -44.53 72.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.25 65.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.404 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.886 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -62.13 -48.61 79.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.886 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -51.45 -23.79 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.2 -39.71 15.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -71.23 -30.11 65.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.38 -12.03 58.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.72 -52.12 7.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.447 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 5.5 pttm -55.96 -56.16 24.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.488 HD12 ' N ' ' A' ' 27' ' ' LEU . 2.8 pp -51.11 -22.91 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.2 tp . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 72.0 140.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -40.26 144.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.424 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 4' ' ' LEU . 3.4 mm? -98.86 -27.34 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -79.71 -34.16 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -50.59 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.071 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.44 0.07 27.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.761 ' O ' HD22 ' A' ' 11' ' ' LEU . . . -76.32 -36.61 38.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.527 ' CD1' ' O ' ' A' ' 9' ' ' TYR . 1.4 t80 -103.83 -20.21 14.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.537 0.786 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.0 mm? -95.15 47.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.761 HD22 ' O ' ' A' ' 8' ' ' GLY . 1.4 pt? -114.96 -45.38 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 14' ' ' ILE . . . -72.85 -36.63 57.55 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -40.84 -29.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 0.796 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.439 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -109.63 -52.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -47.91 -24.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.865 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.68 -39.83 91.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' ILE . 8.0 mtpp -71.24 -43.86 66.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.239 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.02 -28.15 69.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -66.44 -40.01 89.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.8 62.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.31 -33.1 18.13 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.18 -28.69 38.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.466 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.68 -19.26 33.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.92 -33.82 24.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -75.84 -52.86 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -59.33 -23.36 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -77.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 4' ' ' LEU . 12.6 t -160.65 -148.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.397 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' N ' HG23 ' A' ' 3' ' ' THR . 2.0 mm? -54.34 -23.1 14.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.495 ' H ' HG23 ' A' ' 3' ' ' THR . 59.2 t30 -61.46 -34.07 74.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.574 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -65.63 -60.55 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' LEU . . . -61.1 -15.42 32.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -38.31 -48.95 2.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -162.47 30.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 6' ' ' SER . 2.4 mp -127.04 14.01 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -98.34 2.7 48.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -105.84 -59.28 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.13 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.75 . . . . 0.0 109.324 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.37 -58.88 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 13.0 t-20 -45.66 -34.27 3.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -58.06 -41.23 82.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.7 mmtt -69.12 -47.67 64.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.01 -25.33 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.924 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -61.65 -49.98 74.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.924 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -50.01 -25.06 3.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.5 -39.66 16.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -70.48 -29.83 66.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -82.2 -13.66 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -81.38 -52.29 7.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' LYS . 6.9 ptmm? -55.52 -57.39 12.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 27' ' ' LEU . 2.9 pp -50.13 -23.36 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 3' ' ' THR . 42.9 m95 -45.38 154.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 2' ' ' TRP . 7.3 p -37.21 155.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -107.65 -28.2 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -83.1 -32.78 26.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.594 ' O ' ' CE1' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -77.01 -47.35 20.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -78.15 -0.04 26.76 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.18 -34.35 66.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.453 1.096 . . . . 0.0 110.937 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.8 p90 -106.35 23.24 14.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 0.733 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 6' ' ' SER . 4.5 mm? -105.79 -26.97 11.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.68 41.05 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.7 -42.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mmtm -59.81 -16.24 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LYS . 1.0 OUTLIER -108.97 -56.18 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.35 -23.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.62 -38.23 77.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.23 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER -68.7 -43.83 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.62 66.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -62.23 -51.54 67.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.96 -24.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.89 -34.83 18.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.41 -26.88 55.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.53 -16.5 36.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -89.8 -21.81 22.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 26' ' ' ILE . 2.0 pttt -86.34 -39.67 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.55 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.3 pp -88.66 -36.2 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -127.59 63.35 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.7 t -157.6 -147.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 3' ' ' THR . 4.0 mm? -57.37 -18.9 19.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.512 ' H ' HG23 ' A' ' 3' ' ' THR . 0.9 OUTLIER -61.3 -42.33 98.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -63.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.34 -20.19 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.88 -45.85 1.63 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.456 ' O ' HD12 ' A' ' 10' ' ' LEU . 13.1 p90 -133.86 28.93 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 0.751 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 9' ' ' TYR . 6.8 mp -119.08 -41.08 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.214 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HA ' HD11 ' A' ' 14' ' ' ILE . 3.6 pp -42.29 -45.7 4.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' N ' HD12 ' A' ' 11' ' ' LEU . . . -61.05 -52.93 49.11 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -51.21 -62.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.87 -54.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 11.7 t-20 -49.51 -24.61 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -34.79 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' ILE . 1.1 mmtp -77.25 -44.27 30.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.18 -24.78 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.92 -38.9 92.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.12 -22.66 64.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.2 17.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.787 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.48 -29.56 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.05 -18.79 38.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -24.88 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -45.07 18.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 26' ' ' ILE . 2.7 pp -62.14 -18.68 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.3 m0 65.59 95.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -156.53 171.21 20.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.3 OUTLIER -73.47 -22.94 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.95 -22.98 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.612 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -71.13 -59.58 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.965 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.31 14.64 10.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.73 -46.93 5.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.513 1.133 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.517 ' CD2' HD22 ' A' ' 10' ' ' LEU . 1.2 t80 -85.67 -26.65 25.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 6' ' ' SER . 3.9 mm? -76.81 -14.37 59.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -40.34 -70.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -118.31 -11.66 7.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 1.2 mtpm? 71.06 -53.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -105.49 -48.53 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.398 1.061 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.27 -21.75 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.364 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -29.91 58.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.1 mtpt -73.98 -44.11 55.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.93 -24.87 62.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.57 -38.75 92.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.661 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.2 -23.39 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 -33.39 18.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.784 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.17 -29.68 43.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.62 -19.37 35.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -84.88 -26.03 27.59 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -82.67 -46.69 12.92 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.7 pp -62.6 -21.87 28.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -111.33 -45.28 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' C ' ' N ' ' A' ' 5' ' ' ASN . 0.4 OUTLIER -95.09 -28.55 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER -38.49 -31.0 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.462 ' N ' ' C ' ' A' ' 3' ' ' THR . 93.9 m-20 -44.43 -26.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.582 ' O ' ' CE2' ' A' ' 9' ' ' TYR . 0.4 OUTLIER -61.18 -59.82 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.975 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.35 -12.21 61.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.86 -31.27 5.41 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.621 ' CE1' HD21 ' A' ' 10' ' ' LEU . 53.5 p90 -118.87 26.67 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.621 HD21 ' CE1' ' A' ' 9' ' ' TYR . 4.1 mt -139.11 14.61 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.374 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.71 11.75 16.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.34 -18.96 5.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER 79.36 -52.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 109.34 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -46.21 -58.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.615 ' O ' HD13 ' A' ' 19' ' ' LEU . 9.6 t-20 -52.83 -25.47 11.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -71.35 -27.24 63.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 9.2 mmtm -77.66 -45.28 25.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.38 -25.9 67.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.912 HD12 HD23 ' A' ' 22' ' ' LEU . 1.6 mp -63.17 -50.0 72.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.47 -22.81 2.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.403 1.065 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.08 -35.31 16.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.912 HD23 HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -76.06 -27.55 57.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.142 . . . . 0.0 109.367 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.38 -20.11 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -82.76 -37.35 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.403 1.064 . . . . 0.0 109.347 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -70.55 -52.78 19.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.525 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.7 pp -55.73 -20.49 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 26' ' ' ILE . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 71.28 75.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.935 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -155.27 170.85 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.413 1.07 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.935 HD22 ' C ' ' A' ' 3' ' ' THR . 1.8 mm? -137.14 -46.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.373 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.39 -18.83 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.401 1.063 . . . . 0.0 109.235 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.49 -56.73 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.65 -4.87 36.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.487 ' O ' ' CD2' ' A' ' 11' ' ' LEU . . . -59.46 -18.24 43.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.55 ' CD2' HD22 ' A' ' 10' ' ' LEU . 5.4 t80 -120.23 -5.93 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 111.005 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 ' CD2' ' A' ' 9' ' ' TYR . 2.3 mm? -112.39 15.3 20.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.7 OUTLIER -81.17 -24.67 37.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -62.15 -56.54 21.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mttp -46.09 -63.44 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.18 -54.79 25.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.268 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.9 t-20 -49.98 -24.79 2.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -65.86 -33.26 75.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' ILE . 27.9 mttt -78.48 -45.27 22.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.44 -25.16 63.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.45 -38.92 93.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.681 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.13 -22.73 64.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.36 -33.45 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -79.31 -29.61 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.5 -19.79 35.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -83.93 -25.54 30.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 3.7 pttm -83.03 -46.98 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 23' ' ' ALA . 2.6 pp -62.0 -23.52 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -91.91 66.19 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.64 -82.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.609 1.193 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.716 ' H ' HG23 ' A' ' 3' ' ' THR . 0.2 OUTLIER 72.71 -55.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -58.95 -16.94 20.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' CB ' ' HG1' ' A' ' 3' ' ' THR . 61.4 m -77.62 -62.35 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.95 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.07 -11.44 48.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.81 -54.61 27.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.679 ' CD2' ' CD2' ' A' ' 10' ' ' LEU . 4.0 t80 -70.2 -18.66 63.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 110.993 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.679 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 3.9 mm? -112.91 34.02 4.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -38.61 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.06 -32.27 58.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -59.65 -16.3 25.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -119.23 -52.89 3.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 19' ' ' LEU . 17.9 t-20 -39.66 -30.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' N ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -57.82 -53.59 56.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 2.4 mmtt -59.5 -43.51 93.32 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.64 -26.2 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.224 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.7 -51.51 68.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.0 -23.77 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.05 -35.28 17.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -75.68 -28.74 58.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.49 -20.21 34.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.322 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -85.43 -25.94 26.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 1.4 pttp -83.66 -48.88 9.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 25' ' ' LYS . 2.4 pp -64.33 -23.02 32.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.511 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -93.29 84.47 4.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 1.005 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -45.34 170.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD13 ' C ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -132.56 -46.16 0.89 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.61 -18.66 62.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -101.02 -52.92 3.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 3' ' ' THR . . . -76.73 -1.74 29.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.35 -53.7 8.58 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 6' ' ' SER . 5.8 p90 -74.74 -1.92 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 0.831 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.532 ' HG ' ' CE1' ' A' ' 9' ' ' TYR . 12.2 mt -105.07 -34.88 7.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.652 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -41.68 -46.21 3.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.93 49.23 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.577 1.173 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 18.8 mttt -51.38 -62.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.342 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -57.1 -54.59 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 21.9 t-20 -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -63.52 -32.38 73.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' ILE . 0.9 OUTLIER -82.35 -44.58 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.17 -24.78 65.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.863 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -63.36 -51.41 66.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.863 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.08 -23.99 1.42 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -87.72 -36.88 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -83.03 -22.31 33.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -85.24 -26.46 26.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -82.84 -46.04 13.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 1.066 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.61 HG23 ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -62.33 -23.52 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.59 60.07 4.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -63.98 144.98 56.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.968 ' O ' HD22 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -98.73 -27.28 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.407 1.067 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.652 ' N ' HD13 ' A' ' 4' ' ' LEU . 6.2 t-20 -79.75 -34.15 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -73.59 -50.73 19.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.531 1.144 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.34 -0.1 27.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -54.93 33.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.423 1.077 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.671 ' CE1' HD21 ' A' ' 10' ' ' LEU . 19.4 p90 -164.51 28.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.671 HD21 ' CE1' ' A' ' 9' ' ' TYR . 1.8 mt -109.76 15.13 22.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -73.39 -54.23 8.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -119.9 -10.67 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.7 mtpt 71.04 -53.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 0.78 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -105.81 -48.37 8.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.342 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.2 t-20 -45.88 -26.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.229 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.44 HD13 HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.17 -42.05 97.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' ILE . 38.5 mmtt -73.43 -44.82 57.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.58 66.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -64.19 -50.59 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.63 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.95 -24.47 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.93 -33.85 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.806 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.97 -26.66 54.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.81 -16.14 39.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -31.28 23.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 4.1 ptpt -77.06 -46.38 23.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.625 1.203 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 ' C ' HD12 ' A' ' 26' ' ' ILE . 2.3 pp -58.84 -22.31 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -173.58 44.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' TRP . 3.0 p 44.96 -170.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.463 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -99.28 -18.33 17.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -90.73 -20.65 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -96.01 -49.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.968 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' TRP . . . -87.22 12.56 11.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.69 7.6 22.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -114.96 -28.16 7.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.034 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' H ' HD23 ' A' ' 10' ' ' LEU . 2.4 pt? -118.33 27.36 9.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.764 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -110.45 -17.39 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -114.18 -47.82 0.59 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' LEU . 7.3 mttt -44.42 -84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.616 HD11 ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -42.9 -57.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.199 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.96 -36.05 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -54.35 -45.75 72.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 10.6 mttt -65.01 -45.2 86.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -26.93 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.05 -42.22 94.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.758 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.94 -24.0 56.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.24 18.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.804 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.22 -28.03 53.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.09 -16.85 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 mmtm -87.39 -30.16 20.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 20.8 pttt -80.46 -49.67 11.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -63.24 -22.88 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.8 OUTLIER -138.07 150.7 47.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.773 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 71.1 p -48.1 176.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.99 -33.12 6.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.338 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -86.17 -25.11 25.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' ' 3' ' ' THR . 0.1 OUTLIER -94.8 -43.56 8.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 3' ' ' THR . . . -79.01 1.33 24.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.66 -57.54 9.84 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CG ' HD13 ' A' ' 19' ' ' LEU . 2.3 p90 -153.56 32.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 9' ' ' TYR . 5.3 mp -136.24 39.71 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -114.9 -38.78 3.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.93 -12.05 8.02 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . 6.0 mmtp 77.75 -54.85 0.52 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -45.84 -58.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 15' ' ' ASN . 2.4 t-20 -47.59 -27.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.27 -54.5 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 16' ' ' LEU . 6.6 mttp -52.13 -42.96 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.66 -32.61 73.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.0 -38.61 91.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.666 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -61.23 -25.18 66.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.56 -32.43 20.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -80.16 -26.83 39.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -88.13 -16.89 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 25.0 mtpt -85.85 -29.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HG3' HG23 ' A' ' 26' ' ' ILE . 11.1 ptmm? -76.76 -46.78 23.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.767 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.89 -35.89 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.767 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -176.73 48.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -176.32 171.57 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.77 -26.99 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.698 ' HB2' HG23 ' A' ' 3' ' ' THR . 1.1 m120 -52.24 -28.41 18.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -53.35 36.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 -0.36 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.81 -51.81 55.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.569 ' CE1' HD21 ' A' ' 10' ' ' LEU . 13.0 p90 -166.87 34.74 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.527 0.781 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 9' ' ' TYR . 12.7 mt -118.49 -40.75 2.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.648 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -41.3 -46.29 3.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.92 48.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -51.42 -62.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.95 -54.31 31.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 7.0 t-20 -48.94 -25.3 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -74.98 -37.79 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mtpt -67.76 -44.3 77.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.67 -24.98 63.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.197 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.7 -42.25 99.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.764 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -57.88 -27.55 63.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.72 -33.0 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.817 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -77.44 -25.5 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -87.85 -14.71 38.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -87.98 -25.55 23.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HG3' HG23 ' A' ' 26' ' ' ILE . 10.2 ptmt -82.68 -46.13 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.571 HG23 ' HG3' ' A' ' 25' ' ' LYS . 2.4 pp -80.68 -34.49 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.51 64.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.505 ' OG1' ' N ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -168.66 177.9 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' ' OG1' ' A' ' 3' ' ' THR . 2.1 mm? -39.6 -30.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' HB2' HG23 ' A' ' 3' ' ' THR . 2.0 t30 -56.9 -53.21 60.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -56.87 -60.33 3.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.013 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.99 -16.19 28.59 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -39.68 -58.92 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.516 ' CE1' ' CD2' ' A' ' 10' ' ' LEU . 3.7 p90 -168.73 35.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.516 ' CD2' ' CE1' ' A' ' 9' ' ' TYR . 3.4 mm? -116.68 -46.17 2.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.633 ' HA ' HD11 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -41.42 -46.43 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.98 -52.94 49.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -51.32 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 0.724 . . . . 0.0 109.241 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -56.89 -54.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 109.348 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.515 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 9.5 t-20 -49.09 -25.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -37.14 78.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ILE . 3.4 mtpm? -69.29 -44.49 71.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -25.21 63.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.61 -41.23 98.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.745 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.86 -23.6 61.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.19 -34.03 17.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.357 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.794 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.53 -28.65 52.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -83.9 -18.12 38.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -83.19 -24.83 32.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -78.03 -49.35 14.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 27' ' ' LEU . 1.9 pp -79.97 -32.97 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 ' N ' HD12 ' A' ' 26' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.118 . . . . 0.0 109.229 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -152.97 -73.76 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.712 HG23 ' H ' ' A' ' 5' ' ' ASN . 10.8 t -169.2 -153.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.6 mm? -61.4 -18.02 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.712 ' H ' HG23 ' A' ' 3' ' ' THR . 89.3 m-20 -67.19 -17.78 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -84.97 -59.35 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.945 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.55 17.74 6.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -86.25 -31.62 19.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 32.3 p90 -126.29 2.63 7.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.8 mp -88.26 -19.97 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -105.82 48.43 0.84 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' ILE . . . -172.76 -35.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' CD ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.55 -30.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.34 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -134.13 -52.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' OD1' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -37.49 -48.1 0.95 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.985 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -62.36 -50.34 71.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.985 ' N ' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -50.3 -41.96 51.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.52 66.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -69.55 -52.36 27.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.702 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -49.11 -24.08 1.5 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -88.07 -34.45 17.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -76.53 -28.55 56.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.255 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -84.02 -20.93 31.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -85.99 -27.36 24.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' CG ' ' N ' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -82.78 -48.38 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -64.08 -23.17 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.611 ' HB3' HD23 ' A' ' 4' ' ' LEU . 3.3 t-105 -172.36 135.92 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 6' ' ' SER . 47.0 p -37.6 -52.51 1.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.407 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 2' ' ' TRP . 0.2 OUTLIER 72.42 -54.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -68.56 -33.08 73.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.664 ' O ' HD13 ' A' ' 10' ' ' LEU . 15.1 m -75.1 -45.83 38.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.54 0.17 23.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.67 -37.13 93.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.665 ' CZ ' HD11 ' A' ' 10' ' ' LEU . 16.4 p90 -102.67 22.16 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 10.0 mp -108.14 -10.68 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.81 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -92.25 25.04 3.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.183 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 16' ' ' LEU . . . -124.55 -39.74 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.049 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -40.76 -29.46 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -113.41 -55.26 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 11' ' ' LEU . 8.9 t-20 -48.81 -44.28 39.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -60.26 -28.43 68.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ILE . 54.7 mmtt -81.07 -45.57 16.3 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.79 64.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.228 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.13 -41.37 99.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.747 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -58.67 -24.44 61.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 -33.73 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.8 ' C ' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -77.63 -27.93 51.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 26' ' ' ILE . . . -85.01 -16.76 39.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -86.55 -31.49 21.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 26' ' ' ILE . 11.7 ptmm? -78.93 -50.84 10.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 22' ' ' LEU . 2.6 pp -61.82 -23.4 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.979 . . . . . . . . 0 0 . 1 stop_ save_