data_2kam_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 2kam _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 ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.63 0.253 . . . . 1.0 111.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.587 0.232 . . . . 1.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.593 0.235 . . . . 1.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.542 0.211 . . . . 1.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 16.7 mtpp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.504 0.192 . . . . 1.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.492 0.187 . . . . 1.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.515 0.198 . . . . 1.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.607 0.241 . . . . 1.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.424 0.154 . . . . 1.0 111.18 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.418 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.486 0.184 . . . . 1.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.379 0.14 . . . . 1.0 111.379 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.664 0.269 . . . . 1.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.438 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.388 0.137 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.517 0.199 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.467 0.175 . . . . 1.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 8' ' ' THR . 43.1 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.602 0.239 . . . . 1.0 111.401 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 4' ' ' ASP . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.403 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.436 0.16 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HZ3' ' CB ' ' A' ' 22' ' ' LYS . 8.5 mtmp? . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.499 0.19 . . . . 1.0 111.232 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.502 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.502 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.479 0.181 . . . . 1.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.433 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 17' ' ' ILE . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.409 0.147 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.449 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 17' ' ' ILE . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.456 ' CG ' ' CN ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.75 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.263 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -64.73 -54.28 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.24 0.543 . . . . 1.0 110.385 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.85 -44.83 82.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 1.0 111.35 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.76 -15.43 51.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.97 -45.1 96.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 1.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 t -99.84 33.35 2.59 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.59 -45.14 95.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.395 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.505 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.578 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.578 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.03 -48.05 81.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.058 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.17 -54.26 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.678 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -56.1 -45.85 79.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.154 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -81.23 -5.56 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 35.2 t80 -65.25 -19.46 65.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.731 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 23' ' ' PHE . 5.5 p 62.52 62.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -62.63 -42.23 99.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.653 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.592 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.592 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.19 -50.75 72.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.52 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -58.84 -46.94 86.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.164 0.507 . . . . 1.0 110.021 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.29 -42.63 77.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.294 -0.867 . . . . 1.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.429 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.14 -11.27 59.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.2 t80 -85.72 -0.08 54.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -134.98 52.35 2.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.548 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.912 -1.042 . . . . 1.0 110.831 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.597 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.597 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.47 -49.31 78.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.187 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -63.37 -52.23 62.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.73 -44.65 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.301 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' C ' ' H ' ' A' ' 24' ' ' THR . 16.7 mtpp -77.37 -15.82 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 81.4 t80 -76.59 15.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 1.0 110.74 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' LYS . 17.8 p 50.95 49.45 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.179 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm 35.55 -143.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.208 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.558 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.629 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.629 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.53 -48.62 78.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -63.33 -53.77 47.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.01 0.433 . . . . 1.0 110.655 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -46.22 79.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.254 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' THR . 19.6 mtpp -76.48 -18.57 58.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.7 t80 -74.63 13.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 1.0 110.683 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' LYS . 8.9 t -84.26 30.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.241 0.543 . . . . 1.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.66 -42.05 99.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.607 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.6 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.613 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.613 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -60.36 -47.39 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.042 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -64.91 -53.55 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.221 0.534 . . . . 1.0 110.38 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -56.89 -44.35 82.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.133 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.45 -37.22 84.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.39 -46.03 87.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.873 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.8 p -95.75 30.8 2.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.065 0.459 . . . . 1.0 110.603 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.79 -45.56 93.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.459 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.976 . . . . 1.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.631 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.631 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.392 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -64.02 -49.95 70.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.283 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -58.73 -44.45 90.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.271 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -83.62 -13.97 53.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.47 -45.71 92.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.737 -0.385 . . . . 1.0 110.658 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -85.9 27.58 0.87 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 1.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -79.6 136.81 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.263 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.913 -1.041 . . . . 1.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 -51.23 70.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -57.31 -46.44 83.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.151 0.501 . . . . 1.0 110.409 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.36 -41.86 80.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.698 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -87.9 16.86 5.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 25' ' ' LYS . 90.7 t80 -62.78 -26.19 68.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.804 -0.358 . . . . 1.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -79.07 24.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 1.0 110.236 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 23' ' ' PHE . 45.5 mmtm -126.17 143.56 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.73 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.624 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.624 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.83 -47.68 83.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.093 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.96 -53.48 53.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.151 0.501 . . . . 1.0 110.478 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -55.93 -46.04 78.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.18 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -79.28 -18.99 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -66.5 -28.75 68.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.0 110.667 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -83.87 24.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -105.9 125.39 50.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.23 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.944 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.642 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.642 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.35 -47.66 84.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.03 -55.22 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.76 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -57.76 -44.29 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.484 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -64.45 -39.44 93.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 29.9 t80 -47.69 -22.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.542 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 72.79 70.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.204 0.526 . . . . 1.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -80.13 140.84 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.639 -0.709 . . . . 1.0 110.59 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.484 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.688 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.688 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.37 -48.12 81.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.077 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -64.47 -54.45 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.54 -44.97 81.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.379 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 51.8 mtmt -82.92 -14.69 53.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 86.9 t80 -68.44 -0.59 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 1.0 110.615 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -94.01 36.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 44.8 mmtm -47.33 136.75 9.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.731 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' LYS . 65.8 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.866 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.717 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -60.01 -48.63 80.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.151 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.92 -53.64 47.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.133 0.492 . . . . 1.0 110.48 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.88 -45.07 82.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.452 -0.794 . . . . 1.0 111.285 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.438 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.438 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp -81.78 2.88 28.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.54 ' C ' ' H ' ' A' ' 25' ' ' LYS . 63.1 t80 -63.62 -41.82 98.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.781 0.324 . . . . 1.0 111.008 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 p -72.71 21.88 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.981 0.419 . . . . 1.0 111.218 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 23' ' ' PHE . 69.0 mmtt -99.86 -3.4 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.789 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LYS . 97.4 mttt . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.03 -0.986 . . . . 1.0 111.716 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.613 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.613 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -65.35 -41.85 93.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.341 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.87 -52.9 57.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.579 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -55.12 -44.59 75.15 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.992 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.45 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 25' ' ' LYS . 52.0 mtmt -82.29 -12.15 58.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.703 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.0 p -103.28 7.75 38.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.932 0.396 . . . . 1.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' LYS . 44.8 mmtm -134.57 139.66 45.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.066 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.642 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.539 ' CN ' ' N ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' CN ' ' A' ' 1' ' ' FME . . . -59.17 -47.87 83.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.14 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 7' ' ' SER . 83.5 mt-30 -63.0 -53.18 58.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.248 0.547 . . . . 1.0 110.431 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.74 -46.64 74.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.167 -0.924 . . . . 1.0 110.967 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -80.82 0.95 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.416 ' O ' ' OG1' ' A' ' 24' ' ' THR . 79.7 t80 -59.76 -44.11 94.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.123 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 23' ' ' PHE . 86.0 m -167.5 78.55 0.18 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.024 0.44 . . . . 1.0 109.981 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -39.53 -41.79 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.662 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.488 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.6 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.6 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.58 -48.88 79.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -64.87 -54.25 33.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.6 -44.84 90.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.407 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -62.93 -34.4 77.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -58.27 -44.94 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.771 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 t -94.59 32.77 1.53 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.122 0.487 . . . . 1.0 110.298 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -69.67 135.1 49.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.351 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.828 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.625 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.625 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -56.5 -48.74 76.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.88 -52.66 58.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 8' ' ' THR . 43.1 t0 -57.71 -45.78 85.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.401 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 4' ' ' ASP . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -62.98 -33.65 75.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.506 ' C ' ' H ' ' A' ' 25' ' ' LYS . 66.9 t80 -56.83 -45.29 82.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.495 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.454 ' O ' ' CG2' ' A' ' 24' ' ' THR . 93.1 m -76.2 15.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.277 0.561 . . . . 1.0 110.379 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 23' ' ' PHE . 70.5 mmtt -132.19 -170.99 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.395 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.525 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.571 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.571 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.05 -47.81 82.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.146 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.65 -54.25 34.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.08 -45.94 82.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.221 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' HZ3' ' CB ' ' A' ' 22' ' ' LYS . 8.5 mtmp? -91.56 34.72 0.96 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' CD2' ' OG1' ' A' ' 24' ' ' THR . 79.4 t80 -59.82 -47.03 87.36 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.82 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 ' OG1' ' CD2' ' A' ' 23' ' ' PHE . 2.4 m -157.89 33.45 0.26 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.063 0.458 . . . . 1.0 110.293 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 21' ' ' ASN . 43.2 mmtm -64.22 -42.02 96.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.726 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.148 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.597 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.597 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.24 -40.62 96.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.072 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.16 -50.71 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.695 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 -56.08 -44.99 79.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.232 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.502 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.502 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -90.13 16.46 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -59.54 -46.71 88.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.722 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 t -121.47 31.94 6.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.346 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -149.45 119.28 7.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.343 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.479 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -65.89 -40.83 91.9 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.288 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -65.55 -54.23 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.84 -45.2 82.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.802 -0.636 . . . . 1.0 111.089 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 17' ' ' ILE . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -80.32 -19.13 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.402 ' C ' ' H ' ' A' ' 25' ' ' LYS . 75.9 t80 -68.12 -36.29 79.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 1.0 110.817 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.5 t -82.31 26.96 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.882 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 23' ' ' PHE . 26.0 mmtp -115.4 146.52 41.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.547 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.557 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.615 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.615 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.91 -47.91 81.44 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.26 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.62 -52.82 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.609 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.4 -45.19 80.75 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.646 -0.706 . . . . 1.0 111.155 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.449 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 17' ' ' ILE . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -66.87 -39.67 87.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -50.87 -23.53 2.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.003 0.43 . . . . 1.0 110.806 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -113.71 31.64 6.37 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -62.11 -47.41 84.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.093 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.865 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.63 0.253 . . . . 1.0 111.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.587 0.232 . . . . 1.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.593 0.235 . . . . 1.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.542 0.211 . . . . 1.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 16.7 mtpp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.504 0.192 . . . . 1.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.492 0.187 . . . . 1.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.515 0.198 . . . . 1.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.607 0.241 . . . . 1.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.424 0.154 . . . . 1.0 111.18 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 9' ' ' ILE . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.486 0.184 . . . . 1.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.379 0.14 . . . . 1.0 111.379 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.664 0.269 . . . . 1.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.388 0.137 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.517 0.199 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.467 0.175 . . . . 1.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.602 0.239 . . . . 1.0 111.401 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.436 0.16 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.499 0.19 . . . . 1.0 111.232 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.5 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.479 0.181 . . . . 1.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.409 0.147 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.456 ' CG ' ' CN ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.75 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.263 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -64.73 -54.28 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.24 0.543 . . . . 1.0 110.385 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.85 -44.83 82.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 1.0 111.35 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.76 -15.43 51.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.97 -45.1 96.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 1.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 t -99.84 33.35 2.59 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.59 -45.14 95.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.395 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.505 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.538 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.03 -48.05 81.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.058 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.17 -54.26 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.678 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -56.1 -45.85 79.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.154 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 24' ' ' THR . 53.2 mtmt -81.23 -5.56 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 35.2 t80 -65.25 -19.46 65.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.731 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.5 p 62.52 62.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -62.63 -42.23 99.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.653 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.541 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.19 -50.75 72.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.52 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -58.84 -46.94 86.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.164 0.507 . . . . 1.0 110.021 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.29 -42.63 77.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.294 -0.867 . . . . 1.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.14 -11.27 59.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.2 t80 -85.72 -0.08 54.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -134.98 52.35 2.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.548 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.912 -1.042 . . . . 1.0 110.831 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.553 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.553 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.47 -49.31 78.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.187 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -63.37 -52.23 62.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.73 -44.65 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.301 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 24' ' ' THR . 16.7 mtpp -77.37 -15.82 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 81.4 t80 -76.59 15.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 1.0 110.74 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 22' ' ' LYS . 17.8 p 50.95 49.45 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.179 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm 35.55 -143.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.208 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.558 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.586 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.586 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.53 -48.62 78.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -63.33 -53.77 47.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.01 0.433 . . . . 1.0 110.655 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -46.22 79.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.254 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 24' ' ' THR . 19.6 mtpp -76.48 -18.57 58.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.7 t80 -74.63 13.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 1.0 110.683 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 22' ' ' LYS . 8.9 t -84.26 30.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.241 0.543 . . . . 1.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.66 -42.05 99.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.607 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.6 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.564 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -60.36 -47.39 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.042 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -64.91 -53.55 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.221 0.534 . . . . 1.0 110.38 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -56.89 -44.35 82.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.133 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.45 -37.22 84.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.39 -46.03 87.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.873 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.8 p -95.75 30.8 2.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.065 0.459 . . . . 1.0 110.603 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.79 -45.56 93.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.459 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.976 . . . . 1.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.631 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.631 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.392 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -64.02 -49.95 70.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.283 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -58.73 -44.45 90.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.271 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -83.62 -13.97 53.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.47 -45.71 92.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.737 -0.385 . . . . 1.0 110.658 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -85.9 27.58 0.87 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 1.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -79.6 136.81 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.263 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.913 -1.041 . . . . 1.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 -51.23 70.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -57.31 -46.44 83.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.151 0.501 . . . . 1.0 110.409 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.36 -41.86 80.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.698 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -87.9 16.86 5.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' A' ' 25' ' ' LYS . 90.7 t80 -62.78 -26.19 68.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.804 -0.358 . . . . 1.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -79.07 24.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 1.0 110.236 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 23' ' ' PHE . 45.5 mmtm -126.17 143.56 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.73 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.583 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.83 -47.68 83.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.093 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.96 -53.48 53.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.151 0.501 . . . . 1.0 110.478 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -55.93 -46.04 78.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.18 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 9' ' ' ILE . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -79.28 -18.99 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -66.5 -28.75 68.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.0 110.667 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -83.87 24.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -105.9 125.39 50.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.23 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.944 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.608 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.608 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.35 -47.66 84.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.03 -55.22 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.76 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -57.76 -44.29 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.484 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -64.45 -39.44 93.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 29.9 t80 -47.69 -22.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.542 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 72.79 70.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.204 0.526 . . . . 1.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -80.13 140.84 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.639 -0.709 . . . . 1.0 110.59 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.484 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.686 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.686 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.37 -48.12 81.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.077 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -64.47 -54.45 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.54 -44.97 81.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.379 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.92 -14.69 53.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 86.9 t80 -68.44 -0.59 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 1.0 110.615 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -94.01 36.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' LYS . 44.8 mmtm -47.33 136.75 9.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.731 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' LYS . 65.8 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.866 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.745 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.745 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -60.01 -48.63 80.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.151 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.92 -53.64 47.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.133 0.492 . . . . 1.0 110.48 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.88 -45.07 82.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.452 -0.794 . . . . 1.0 111.285 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp -81.78 2.88 28.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 25' ' ' LYS . 63.1 t80 -63.62 -41.82 98.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.781 0.324 . . . . 1.0 111.008 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 p -72.71 21.88 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.981 0.419 . . . . 1.0 111.218 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 23' ' ' PHE . 69.0 mmtt -99.86 -3.4 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.789 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LYS . 97.4 mttt . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.03 -0.986 . . . . 1.0 111.716 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.605 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.605 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -65.35 -41.85 93.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.341 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.87 -52.9 57.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.579 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -55.12 -44.59 75.15 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.992 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 25' ' ' LYS . 52.0 mtmt -82.29 -12.15 58.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.703 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.0 p -103.28 7.75 38.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.932 0.396 . . . . 1.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' LYS . 44.8 mmtm -134.57 139.66 45.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.066 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.642 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.539 ' CN ' ' N ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' CN ' ' A' ' 1' ' ' FME . . . -59.17 -47.87 83.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.14 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 7' ' ' SER . 83.5 mt-30 -63.0 -53.18 58.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.248 0.547 . . . . 1.0 110.431 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.74 -46.64 74.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.167 -0.924 . . . . 1.0 110.967 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' ' HZ1' ' A' ' 25' ' ' LYS . 52.0 mtmt -80.82 0.95 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' ' 24' ' ' THR . 79.7 t80 -59.76 -44.11 94.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.123 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 23' ' ' PHE . 86.0 m -167.5 78.55 0.18 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.024 0.44 . . . . 1.0 109.981 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HZ1' ' HG2' ' A' ' 22' ' ' LYS . 26.5 mmtm -39.53 -41.79 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.662 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.488 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.614 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.614 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.58 -48.88 79.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -64.87 -54.25 33.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.6 -44.84 90.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.407 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -62.93 -34.4 77.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -58.27 -44.94 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.771 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 t -94.59 32.77 1.53 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.122 0.487 . . . . 1.0 110.298 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -69.67 135.1 49.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.351 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.828 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.582 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.582 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -56.5 -48.74 76.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.88 -52.66 58.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -57.71 -45.78 85.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.401 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -62.98 -33.65 75.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' C ' ' H ' ' A' ' 25' ' ' LYS . 66.9 t80 -56.83 -45.29 82.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.495 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.688 ' O ' HG22 ' A' ' 24' ' ' THR . 93.1 m -76.2 15.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.277 0.561 . . . . 1.0 110.379 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 23' ' ' PHE . 70.5 mmtt -132.19 -170.99 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.395 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.525 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.523 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.05 -47.81 82.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.146 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.65 -54.25 34.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.08 -45.94 82.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.221 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -91.56 34.72 0.96 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' CD2' ' OG1' ' A' ' 24' ' ' THR . 79.4 t80 -59.82 -47.03 87.36 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.82 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.473 ' OG1' ' CD2' ' A' ' 23' ' ' PHE . 2.4 m -157.89 33.45 0.26 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.063 0.458 . . . . 1.0 110.293 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 21' ' ' ASN . 43.2 mmtm -64.22 -42.02 96.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.726 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.148 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.552 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.24 -40.62 96.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.072 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.16 -50.71 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.695 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 -56.08 -44.99 79.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.232 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.5 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -90.13 16.46 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -59.54 -46.71 88.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.722 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 t -121.47 31.94 6.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.346 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -149.45 119.28 7.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.343 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.438 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -65.89 -40.83 91.9 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.288 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -65.55 -54.23 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.84 -45.2 82.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.802 -0.636 . . . . 1.0 111.089 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -80.32 -19.13 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -68.12 -36.29 79.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 1.0 110.817 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 24' ' ' THR . 3.5 t -82.31 26.96 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.882 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -115.4 146.52 41.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.547 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.557 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.553 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.553 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.91 -47.91 81.44 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.26 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.62 -52.82 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.609 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.4 -45.19 80.75 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.646 -0.706 . . . . 1.0 111.155 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -66.87 -39.67 87.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -50.87 -23.53 2.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.003 0.43 . . . . 1.0 110.806 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -113.71 31.64 6.37 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -62.11 -47.41 84.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.093 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.865 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.63 0.253 . . . . 1.0 111.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.434 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.587 0.232 . . . . 1.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.461 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.593 0.235 . . . . 1.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.542 0.211 . . . . 1.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 16.7 mtpp . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 CA--C 1.527 0.076 0 CA-C-O 120.504 0.192 . . . . 1.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.492 0.187 . . . . 1.0 111.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.515 0.198 . . . . 1.0 111.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.607 0.241 . . . . 1.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.424 0.154 . . . . 1.0 111.18 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 9' ' ' ILE . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.486 0.184 . . . . 1.0 111.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.379 0.14 . . . . 1.0 111.379 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.664 0.269 . . . . 1.0 111.285 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.388 0.137 . . . . 1.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.517 0.199 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.467 0.175 . . . . 1.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.602 0.239 . . . . 1.0 111.401 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.436 0.16 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? . . . . . 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.499 0.19 . . . . 1.0 111.232 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.5 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.5 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.479 0.181 . . . . 1.0 111.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.409 0.147 . . . . 1.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.456 ' CG ' ' CN ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.22 -48.75 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.263 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -64.73 -54.28 33.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.24 0.543 . . . . 1.0 110.385 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.85 -44.83 82.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.293 -0.867 . . . . 1.0 111.35 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.69 -43.69 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.758 -0.46 . . . . 1.0 109.758 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.8 mt -69.25 -33.39 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.579 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -61.7 -46.88 87.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.589 . . . . 1.0 112.033 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -60.01 -51.34 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 1.0 110.52 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.31 -35.15 91.22 Favored Glycine 0 C--N 1.315 -0.598 0 N-CA-C 110.449 -1.061 . . . . 1.0 110.449 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -57.08 -45.86 82.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.255 -1.016 . . . . 1.0 108.255 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.23 -38.35 88.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.308 -0.86 . . . . 1.0 110.157 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.86 -47.64 90.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.052 -0.659 . . . . 1.0 109.491 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -67.9 -44.04 77.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.645 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -32.97 68.09 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.416 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm -63.86 -45.29 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.511 -0.552 . . . . 1.0 109.511 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.55 -42.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.732 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -59.59 -34.08 72.27 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.47 -0.786 . . . . 1.0 109.874 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -70.43 -46.78 63.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.241 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.25 -43.01 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.35 -41.35 93.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.219 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -82.76 -15.43 51.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.04 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -60.97 -45.1 96.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 1.0 110.799 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.4 t -99.84 33.35 2.59 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.136 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.59 -45.14 95.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.395 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.505 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.538 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.03 -48.05 81.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.058 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.17 -54.26 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.678 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -56.1 -45.85 79.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.154 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.5 mt -62.05 -43.82 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.79 -0.448 . . . . 1.0 109.79 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 87.1 mt -69.24 -30.53 46.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 t -76.34 -32.42 58.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.78 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.9 m -61.19 -45.18 95.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.712 -0.677 . . . . 1.0 112.222 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -56.17 -51.44 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.554 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.461 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.09 -36.93 93.65 Favored Glycine 0 C--N 1.316 -0.57 0 N-CA-C 110.343 -1.103 . . . . 1.0 110.343 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -56.03 -45.75 79.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.433 -0.951 . . . . 1.0 108.433 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -62.55 -38.81 91.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.288 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.49 -47.57 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 119.955 -0.698 . . . . 1.0 109.525 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.66 -43.78 79.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.952 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.26 -35.74 67.76 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 120.71 0.291 . . . . 1.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.68 -44.02 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.436 -0.506 . . . . 1.0 109.825 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.96 -43.15 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.691 -0.485 . . . . 1.0 109.691 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.97 -33.67 73.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.57 -0.741 . . . . 1.0 109.654 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.28 -46.62 60.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.954 -0.567 . . . . 1.0 111.062 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.1 -43.32 98.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.055 0.455 . . . . 1.0 109.931 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -60.79 -40.93 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.706 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' O ' HG23 ' A' ' 24' ' ' THR . 53.2 mtmt -81.23 -5.56 57.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.298 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 35.2 t80 -65.25 -19.46 65.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.877 -0.329 . . . . 1.0 110.731 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.5 p 62.52 62.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.328 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -62.63 -42.23 99.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.618 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.653 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.541 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.541 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.19 -50.75 72.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.52 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -58.84 -46.94 86.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.164 0.507 . . . . 1.0 110.021 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.29 -42.63 77.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.294 -0.867 . . . . 1.0 110.964 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.06 -44.53 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.443 -0.503 . . . . 1.0 109.832 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.8 mm -71.14 -33.72 52.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -72.08 -34.16 68.48 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.566 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.1 m -61.3 -46.25 91.09 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.86 -0.609 . . . . 1.0 112.051 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -61.27 -51.28 74.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.997 0.427 . . . . 1.0 110.376 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.47 -35.2 91.39 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.306 -1.118 . . . . 1.0 110.306 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -56.81 -46.01 81.89 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.213 -1.032 . . . . 1.0 108.213 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -62.61 -39.07 92.61 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.113 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.3 t -59.18 -47.03 91.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 C-N-CA 119.874 -0.73 . . . . 1.0 109.676 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -69.6 -42.49 74.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.203 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -36.3 63.96 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 120.625 0.25 . . . . 1.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.14 -43.75 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.91 0.386 . . . . 1.0 110.206 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.82 -42.36 94.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.79 -34.64 73.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.826 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -70.02 -46.67 64.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.193 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.3 t -64.11 -42.76 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.035 0.445 . . . . 1.0 109.939 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -59.43 -40.54 87.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.333 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -81.14 -11.27 59.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.978 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.2 t80 -85.72 -0.08 54.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.888 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -134.98 52.35 2.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.548 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.497 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.912 -1.042 . . . . 1.0 110.831 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.553 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.553 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.47 -49.31 78.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.187 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -63.37 -52.23 62.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.73 -44.65 86.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.321 -0.854 . . . . 1.0 111.301 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.44 -43.71 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.8 mt -68.78 -31.38 50.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 t -74.94 -32.34 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.905 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.1 m -60.88 -45.33 94.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.151 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.3 pt -58.2 -51.43 71.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.983 0.42 . . . . 1.0 110.65 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.78 -34.65 90.34 Favored Glycine 0 C--N 1.316 -0.534 0 N-CA-C 110.404 -1.078 . . . . 1.0 110.404 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -57.48 -46.31 83.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.245 -1.02 . . . . 1.0 108.245 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -61.93 -38.92 90.23 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.327 -0.851 . . . . 1.0 110.1 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.65 -47.72 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.637 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -68.85 -43.11 76.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.089 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -35.47 64.35 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.9 mm -63.76 -43.91 98.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.398 -0.521 . . . . 1.0 109.757 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.78 -43.14 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.591 -0.522 . . . . 1.0 109.591 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 48.3 t0 -61.06 -34.26 74.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 1.0 109.667 179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -68.11 -49.05 63.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.236 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.022 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -60.84 -40.65 93.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.297 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' ' 24' ' ' THR . 16.7 mtpp -77.37 -15.82 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.809 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 81.4 t80 -76.59 15.45 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 1.0 110.74 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 22' ' ' LYS . 17.8 p 50.95 49.45 21.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.179 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm 35.55 -143.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.58 -0.736 . . . . 1.0 111.208 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.558 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.586 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.586 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.53 -48.62 78.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -63.33 -53.77 47.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.01 0.433 . . . . 1.0 110.655 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.27 -46.22 79.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.254 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.6 mt -62.2 -44.09 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.475 -0.49 . . . . 1.0 109.738 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.6 mt -69.13 -30.52 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.954 0.407 . . . . 1.0 109.988 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -74.71 -33.93 62.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.078 0.466 . . . . 1.0 110.261 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -47.65 85.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.367 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 5.0 pt -60.44 -50.12 81.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.534 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.49 -36.55 93.32 Favored Glycine 0 C--N 1.316 -0.561 0 N-CA-C 110.234 -1.146 . . . . 1.0 110.234 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -56.71 -43.78 80.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.806 -0.813 . . . . 1.0 108.806 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.35 -38.57 91.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.249 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.62 -47.41 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 119.763 -0.775 . . . . 1.0 109.524 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.97 -43.5 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.58 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.46 66.21 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 120.714 0.292 . . . . 1.0 110.315 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.94 -44.56 96.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.984 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -42.12 94.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.193 -0.669 . . . . 1.0 109.193 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -60.91 -33.13 72.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.107 -0.951 . . . . 1.0 110.219 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.7 m -70.42 -47.6 59.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.214 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.1 t -65.45 -42.92 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.117 0.484 . . . . 1.0 110.059 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -59.26 -39.38 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.105 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 24' ' ' THR . 19.6 mtpp -76.48 -18.57 58.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.529 ' CD2' ' O ' ' A' ' 23' ' ' PHE . 73.7 t80 -74.63 13.35 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 1.0 110.683 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.428 ' H ' ' C ' ' A' ' 22' ' ' LYS . 8.9 t -84.26 30.64 0.53 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.241 0.543 . . . . 1.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.66 -42.05 99.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.332 -0.849 . . . . 1.0 110.607 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.6 179.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.564 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.564 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -60.36 -47.39 86.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.042 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -64.91 -53.55 44.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.221 0.534 . . . . 1.0 110.38 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -56.89 -44.35 82.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.389 -0.823 . . . . 1.0 111.133 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.35 -43.87 98.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.532 -0.467 . . . . 1.0 109.768 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.26 -30.97 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.7 t -75.57 -31.99 60.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.838 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.4 m -60.79 -45.05 95.88 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.927 -0.579 . . . . 1.0 112.319 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.6 pt -56.12 -50.92 67.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.383 -0.527 . . . . 1.0 110.529 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.08 -37.6 94.73 Favored Glycine 0 C--N 1.315 -0.585 0 N-CA-C 110.368 -1.093 . . . . 1.0 110.368 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.71 -44.81 81.94 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.575 -0.898 . . . . 1.0 108.575 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 tp -61.8 -39.65 92.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.634 -0.712 . . . . 1.0 109.917 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.07 -48.39 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 119.706 -0.797 . . . . 1.0 109.472 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -66.27 -42.73 88.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.999 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -37.2 68.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.517 -0.311 . . . . 1.0 110.291 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.3 mt -64.83 -43.88 96.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.078 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.8 mt -64.72 -42.77 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.083 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.81 -34.96 73.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 1.0 109.575 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -68.64 -46.04 70.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.003 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.53 -43.05 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.191 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -58.47 -44.91 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.052 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -66.45 -37.22 84.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.709 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -58.39 -46.03 87.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.873 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.8 p -95.75 30.8 2.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.065 0.459 . . . . 1.0 110.603 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -61.79 -45.56 93.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.459 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.3 pttt . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.976 . . . . 1.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.631 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.631 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -57.85 -48.04 80.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.392 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -64.02 -49.95 70.39 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.283 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -58.73 -44.45 90.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.271 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.25 -43.85 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.61 -0.515 . . . . 1.0 109.61 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.2 mt -69.32 -27.33 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.101 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 t -81.36 -30.89 33.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.152 0.501 . . . . 1.0 110.278 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -59.22 -45.04 92.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.241 -178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -56.02 -50.63 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.549 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.03 -37.88 95.16 Favored Glycine 0 C--N 1.316 -0.554 0 N-CA-C 110.397 -1.081 . . . . 1.0 110.397 179.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -55.54 -44.42 76.71 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.88 -39.25 93.75 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.333 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.4 t -58.86 -47.23 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 119.607 -0.837 . . . . 1.0 109.407 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.19 -43.21 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.672 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -37.53 65.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 120.742 0.306 . . . . 1.0 110.226 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.63 -44.21 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 1.0 110.118 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.28 -42.48 96.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.155 -0.683 . . . . 1.0 109.155 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -62.05 -33.74 74.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.035 -0.984 . . . . 1.0 110.217 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -70.67 -47.3 60.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.174 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.54 -43.29 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.198 0.523 . . . . 1.0 109.866 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -60.92 -41.21 95.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.087 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt -83.62 -13.97 53.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.068 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -60.47 -45.71 92.73 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.737 -0.385 . . . . 1.0 110.658 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -85.9 27.58 0.87 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.144 0.497 . . . . 1.0 110.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -79.6 136.81 36.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.263 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 117.913 -1.041 . . . . 1.0 110.318 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 -51.23 70.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.401 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -57.31 -46.44 83.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.151 0.501 . . . . 1.0 110.409 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -57.36 -41.86 80.91 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.698 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.37 -0.532 . . . . 1.0 109.751 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.8 mm -71.18 -28.68 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.873 178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -78.52 -32.94 48.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.4 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.8 m -61.04 -44.83 96.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.67 -0.695 . . . . 1.0 111.907 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -56.44 -50.87 70.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.908 0.385 . . . . 1.0 110.473 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.24 -37.82 95.19 Favored Glycine 0 C--N 1.316 -0.55 0 N-CA-C 110.407 -1.077 . . . . 1.0 110.407 179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -54.97 -45.6 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.423 -0.954 . . . . 1.0 108.423 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.11 -38.82 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.439 -0.8 . . . . 1.0 110.51 178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.17 -47.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 119.73 -0.788 . . . . 1.0 109.441 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -69.01 -42.32 76.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.354 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -36.7 62.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 110.099 -0.334 . . . . 1.0 110.099 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 84.0 mt -64.86 -44.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.135 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.25 -42.73 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.103 -0.703 . . . . 1.0 109.103 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.51 -33.6 74.09 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.933 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -71.85 -46.52 57.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.189 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.75 -43.33 97.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -60.29 -40.68 91.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.091 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -87.9 16.86 5.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.01 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' C ' ' H ' ' A' ' 25' ' ' LYS . 90.7 t80 -62.78 -26.19 68.6 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.804 -0.358 . . . . 1.0 110.72 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 m -79.07 24.18 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 1.0 110.236 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 23' ' ' PHE . 45.5 mmtm -126.17 143.56 51.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.399 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.046 -0.978 . . . . 1.0 110.73 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.583 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.583 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.83 -47.68 83.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.093 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -62.96 -53.48 53.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.151 0.501 . . . . 1.0 110.478 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -55.93 -46.04 78.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.18 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.5 -43.81 98.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.751 -0.462 . . . . 1.0 109.751 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.6 mt -69.06 -32.88 56.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 t -70.88 -36.11 72.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.361 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.7 m -61.58 -46.98 87.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.045 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG12 ' H ' ' A' ' 9' ' ' ILE . 4.4 pt -61.31 -50.47 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 1.0 110.627 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.01 -35.65 91.73 Favored Glycine 0 C--N 1.313 -0.717 0 N-CA-C 110.144 -1.182 . . . . 1.0 110.144 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -56.12 -45.36 79.55 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.482 -0.933 . . . . 1.0 108.482 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 tp -63.0 -39.36 94.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.296 -0.865 . . . . 1.0 109.864 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.37 -47.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.048 -0.661 . . . . 1.0 109.773 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -68.14 -43.03 79.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.014 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.84 -37.42 66.17 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.214 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.2 mt -64.99 -44.2 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.172 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.44 -42.91 96.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.491 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -60.09 -34.49 73.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.752 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -67.68 -48.29 67.04 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.192 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.61 -42.93 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 1.0 109.777 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -60.53 -40.94 93.33 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.277 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -79.28 -18.99 51.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.919 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -66.5 -28.75 68.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.893 0.378 . . . . 1.0 110.667 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -83.87 24.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -105.9 125.39 50.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.23 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.944 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.608 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.608 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -59.35 -47.66 84.56 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.03 -55.22 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.76 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -57.76 -44.29 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.484 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.4 -43.95 98.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.0 mt -69.95 -30.19 43.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.909 -0.404 . . . . 1.0 109.909 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -77.49 -33.27 54.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.091 0.472 . . . . 1.0 110.64 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -60.37 -46.43 89.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.366 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.8 pt -58.16 -50.24 78.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.578 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.04 -35.59 92.3 Favored Glycine 0 C--N 1.318 -0.47 0 N-CA-C 110.445 -1.062 . . . . 1.0 110.445 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -57.99 -43.65 86.69 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.761 -0.829 . . . . 1.0 108.761 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.78 -38.47 91.23 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.175 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.63 -46.75 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 119.729 -0.788 . . . . 1.0 109.379 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.55 -44.68 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.503 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -33.54 64.21 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 120.691 0.281 . . . . 1.0 110.335 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mm -63.52 -45.59 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.48 -42.27 95.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.13 -33.38 74.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.222 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.45 -46.87 58.84 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.192 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -64.33 -44.12 97.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.96 0.41 . . . . 1.0 110.051 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -61.44 -42.59 99.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.261 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -64.45 -39.44 93.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.644 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 23' ' ' PHE . 29.9 t80 -47.69 -22.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 1.0 110.542 -179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 72.79 70.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.204 0.526 . . . . 1.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -80.13 140.84 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.639 -0.709 . . . . 1.0 110.59 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.902 -1.047 . . . . 1.0 110.484 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.686 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.686 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.37 -48.12 81.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.077 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -64.47 -54.45 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.54 -44.97 81.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.379 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.31 -43.76 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.685 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.1 mt -69.25 -32.07 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 1.0 109.782 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -75.4 -33.75 61.01 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.64 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.9 m -60.05 -45.36 93.09 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.735 -0.666 . . . . 1.0 111.949 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.9 pt -58.69 -50.46 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.938 0.399 . . . . 1.0 110.336 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.79 -35.78 92.43 Favored Glycine 0 C--N 1.315 -0.591 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -56.09 -45.26 79.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 tp -62.83 -39.04 93.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.368 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.3 -47.02 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.767 -0.773 . . . . 1.0 109.597 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -68.86 -42.91 76.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.23 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -36.5 63.81 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.708 0.289 . . . . 1.0 110.479 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.41 -44.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 1.0 110.061 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.85 -42.5 95.03 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 N-CA-C 109.131 -0.692 . . . . 1.0 109.131 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -61.8 -34.47 75.96 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.928 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -69.0 -48.07 63.96 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.285 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.8 t -64.19 -42.79 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.673 -0.492 . . . . 1.0 109.673 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.52 -41.43 89.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.209 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -82.92 -14.69 53.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.012 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 86.9 t80 -68.44 -0.59 5.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 1.0 110.615 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.9 m -94.01 36.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 1.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' LYS . 44.8 mmtm -47.33 136.75 9.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.731 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' LYS . 65.8 mttm . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.959 -1.02 . . . . 1.0 111.866 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.745 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.745 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -60.01 -48.63 80.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.151 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -63.92 -53.64 47.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.133 0.492 . . . . 1.0 110.48 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -56.88 -45.07 82.78 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.452 -0.794 . . . . 1.0 111.285 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mm -62.31 -43.94 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.5 mt -68.97 -31.66 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -74.31 -33.22 63.13 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.52 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.2 m -61.0 -45.75 93.56 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.756 -0.656 . . . . 1.0 112.096 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -59.93 -50.9 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.034 0.445 . . . . 1.0 110.375 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.28 -36.39 92.97 Favored Glycine 0 C--N 1.315 -0.594 0 N-CA-C 110.49 -1.044 . . . . 1.0 110.49 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -55.78 -45.82 78.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.419 -0.956 . . . . 1.0 108.419 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tt -62.6 -38.82 91.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.37 -0.832 . . . . 1.0 110.382 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.95 -47.43 91.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 119.807 -0.757 . . . . 1.0 109.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.45 -42.27 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.269 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -36.46 61.77 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 120.715 0.293 . . . . 1.0 110.259 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.39 -44.09 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.192 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.53 -42.51 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.442 0.639 . . . . 1.0 109.307 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 22' ' ' LYS . 41.8 t0 -59.94 -34.54 73.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.826 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -69.49 -47.46 63.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.322 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.4 t -64.48 -43.88 96.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.118 0.485 . . . . 1.0 109.909 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -61.33 -39.96 92.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.545 -0.752 . . . . 1.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' CD ' ' OD1' ' A' ' 18' ' ' ASP . 17.3 mtpp -81.78 2.88 28.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.01 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 25' ' ' LYS . 63.1 t80 -63.62 -41.82 98.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.781 0.324 . . . . 1.0 111.008 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 p -72.71 21.88 0.07 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.981 0.419 . . . . 1.0 111.218 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 23' ' ' PHE . 69.0 mmtt -99.86 -3.4 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.789 179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LYS . 97.4 mttt . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.03 -0.986 . . . . 1.0 111.716 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.605 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.605 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -65.35 -41.85 93.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.556 -0.747 . . . . 1.0 110.341 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.87 -52.9 57.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.579 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -55.12 -44.59 75.15 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.234 -0.894 . . . . 1.0 110.992 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.6 mt -62.38 -44.02 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.681 -0.489 . . . . 1.0 109.681 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.29 -31.74 50.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -75.27 -34.33 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.606 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.1 m -61.76 -45.75 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.139 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.0 pt -57.84 -51.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.91 0.386 . . . . 1.0 110.601 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -61.98 -36.97 93.64 Favored Glycine 0 C--N 1.313 -0.727 0 N-CA-C 110.414 -1.074 . . . . 1.0 110.414 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -55.92 -44.98 78.82 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.4 tp -63.14 -39.42 94.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.034 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.2 t -59.3 -47.27 91.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 119.922 -0.711 . . . . 1.0 109.734 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.98 -43.18 79.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.871 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -37.12 66.41 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.247 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.17 -43.99 95.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.391 -0.524 . . . . 1.0 110.212 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.19 -43.04 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -61.0 -33.59 73.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.255 -0.884 . . . . 1.0 109.77 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -71.62 -46.2 59.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 1.0 111.2 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.11 -43.04 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -60.85 -41.4 95.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.743 -0.662 . . . . 1.0 110.461 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 25' ' ' LYS . 52.0 mtmt -82.29 -12.15 58.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.993 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -61.44 -44.73 96.61 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.647 -0.421 . . . . 1.0 110.703 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.0 p -103.28 7.75 38.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.932 0.396 . . . . 1.0 111.032 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' LYS . 44.8 mmtm -134.57 139.66 45.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.066 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.642 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.539 ' CN ' ' N ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' CN ' ' A' ' 1' ' ' FME . . . -59.17 -47.87 83.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.14 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 7' ' ' SER . 83.5 mt-30 -63.0 -53.18 58.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.248 0.547 . . . . 1.0 110.431 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.74 -46.64 74.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.167 -0.924 . . . . 1.0 110.967 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.48 -44.19 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 109.962 -0.385 . . . . 1.0 109.962 179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.0 mt -67.05 -37.01 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.8 t -67.6 -37.04 81.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.758 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -61.09 -47.14 87.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.093 -0.503 . . . . 1.0 112.204 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.8 pt -60.58 -50.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.511 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.13 -35.15 91.08 Favored Glycine 0 C--N 1.316 -0.559 0 N-CA-C 110.096 -1.202 . . . . 1.0 110.096 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -56.53 -46.24 80.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.339 -0.986 . . . . 1.0 108.339 178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.01 -39.27 91.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.971 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 77.3 t -59.62 -48.2 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.009 -0.676 . . . . 1.0 109.673 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -67.48 -42.86 82.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.051 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.11 -37.32 66.72 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 110.22 -0.289 . . . . 1.0 110.22 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -64.14 -44.2 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.202 -0.599 . . . . 1.0 110.03 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.74 -42.8 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.002 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -59.84 -34.54 73.24 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.442 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.7 m -67.81 -47.24 69.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.44 -43.28 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.11 0.481 . . . . 1.0 110.093 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -60.62 -40.77 93.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.579 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' HG2' ' HZ1' ' A' ' 25' ' ' LYS . 52.0 mtmt -80.82 0.95 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.216 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' ' 24' ' ' THR . 79.7 t80 -59.76 -44.11 94.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.123 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 23' ' ' PHE . 86.0 m -167.5 78.55 0.18 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.024 0.44 . . . . 1.0 109.981 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HZ1' ' HG2' ' A' ' 22' ' ' LYS . 26.5 mmtm -39.53 -41.79 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.662 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.012 -0.994 . . . . 1.0 110.488 179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.614 ' HCN' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.614 ' H ' ' HCN' ' A' ' 1' ' ' FME . . . -58.58 -48.88 79.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -64.87 -54.25 33.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.601 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -58.6 -44.84 90.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.444 -0.798 . . . . 1.0 111.407 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.64 -43.91 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.701 -0.481 . . . . 1.0 109.701 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -67.95 -31.88 53.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.696 -0.483 . . . . 1.0 109.696 179.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 t -73.65 -34.49 64.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.46 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -61.24 -46.47 90.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.877 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.1 pt -60.28 -50.84 78.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.087 0.47 . . . . 1.0 110.606 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.7 -36.71 93.68 Favored Glycine 0 C--N 1.316 -0.565 0 N-CA-C 110.284 -1.126 . . . . 1.0 110.284 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -55.69 -44.88 77.79 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.555 -0.906 . . . . 1.0 108.555 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.32 -40.1 95.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.565 -0.743 . . . . 1.0 109.983 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.9 t -59.37 -48.39 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 119.65 -0.82 . . . . 1.0 109.387 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -66.44 -42.98 86.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 1.0 111.188 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.48 -37.1 67.36 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 110.08 -0.341 . . . . 1.0 110.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.9 mt -65.3 -44.17 94.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.598 -0.441 . . . . 1.0 110.174 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.63 -42.55 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.425 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.72 -34.32 72.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.813 . . . . 1.0 110.001 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -72.08 -45.74 59.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.458 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.3 t -62.67 -43.86 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.428 -0.582 . . . . 1.0 109.428 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -60.33 -40.03 89.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.536 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -62.93 -34.4 77.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.542 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -58.27 -44.94 88.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.771 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.7 t -94.59 32.77 1.53 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.122 0.487 . . . . 1.0 110.298 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -69.67 135.1 49.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.351 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.828 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.582 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.582 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -56.5 -48.74 76.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.88 -52.66 58.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.564 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -57.71 -45.78 85.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.401 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.12 -43.87 98.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.8 mt -68.5 -31.59 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.978 0.418 . . . . 1.0 109.878 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -74.15 -34.79 63.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.126 0.489 . . . . 1.0 110.06 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -60.86 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.585 -0.734 . . . . 1.0 111.535 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.7 pt -59.49 -50.17 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.45 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.42 -38.65 96.64 Favored Glycine 0 C--N 1.316 -0.549 0 N-CA-C 110.244 -1.142 . . . . 1.0 110.244 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -54.82 -45.09 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.875 -0.787 . . . . 1.0 108.875 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -63.68 -39.34 94.08 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.485 178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.87 -47.26 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.311 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -68.85 -43.14 76.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.965 -0.562 . . . . 1.0 111.683 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -37.25 63.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 120.685 0.278 . . . . 1.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.45 -44.33 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.041 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.6 -42.46 96.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.172 -0.677 . . . . 1.0 109.172 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -62.09 -33.93 75.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.913 -1.04 . . . . 1.0 110.346 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -72.74 -46.26 54.43 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.363 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.21 -43.84 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.333 -0.617 . . . . 1.0 109.333 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -60.5 -40.1 90.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.557 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -62.98 -33.65 75.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.711 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' C ' ' H ' ' A' ' 25' ' ' LYS . 66.9 t80 -56.83 -45.29 82.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.495 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.688 ' O ' HG22 ' A' ' 24' ' ' THR . 93.1 m -76.2 15.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.277 0.561 . . . . 1.0 110.379 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 23' ' ' PHE . 70.5 mmtt -132.19 -170.99 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.415 -0.811 . . . . 1.0 110.395 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.525 -179.891 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.523 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.523 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -58.05 -47.81 82.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.146 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.65 -54.25 34.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.541 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.08 -45.94 82.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.221 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.52 -43.72 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.501 -0.48 . . . . 1.0 109.805 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.64 -32.0 53.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.705 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -73.29 -34.06 65.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 110.349 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.2 m -60.91 -46.48 90.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.833 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.2 pt -61.25 -50.55 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.19 0.519 . . . . 1.0 110.3 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.24 -36.11 92.98 Favored Glycine 0 C--N 1.315 -0.618 0 N-CA-C 110.24 -1.144 . . . . 1.0 110.24 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -56.13 -45.7 79.47 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.217 -1.031 . . . . 1.0 108.217 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.5 tp -62.03 -39.85 93.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.343 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.34 -48.71 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.627 -0.829 . . . . 1.0 109.336 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -67.25 -42.31 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.805 -0.634 . . . . 1.0 111.53 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 -35.77 62.84 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.99 -44.07 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.695 -0.402 . . . . 1.0 110.025 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mm -65.16 -42.6 94.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.9 -33.84 74.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 110.045 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -71.69 -46.42 58.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.278 -179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.1 t -63.14 -44.09 99.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.519 -0.548 . . . . 1.0 109.519 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.436 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 29.3 t-20 -60.98 -43.06 99.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.85 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -91.56 34.72 0.96 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.935 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.473 ' CD2' ' OG1' ' A' ' 24' ' ' THR . 79.4 t80 -59.82 -47.03 87.36 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.82 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.473 ' OG1' ' CD2' ' A' ' 23' ' ' PHE . 2.4 m -157.89 33.45 0.26 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.063 0.458 . . . . 1.0 110.293 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 21' ' ' ASN . 43.2 mmtm -64.22 -42.02 96.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.726 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.148 -179.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.552 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.24 -40.62 96.78 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.601 -0.727 . . . . 1.0 110.072 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.16 -50.71 67.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.695 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 8' ' ' THR . 24.5 t70 -56.08 -44.99 79.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.651 -0.704 . . . . 1.0 111.232 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.01 -43.67 97.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 94.4 mt -68.87 -26.53 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.921 0.391 . . . . 1.0 110.197 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -84.58 -28.94 26.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.363 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' ASP . 88.0 m -59.66 -44.6 93.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.159 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 HG13 ' H ' ' A' ' 10' ' ' GLY . 2.7 pt -52.83 -51.7 34.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.587 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.5 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.23 -36.88 94.02 Favored Glycine 0 C--N 1.317 -0.472 0 N-CA-C 110.56 -1.016 . . . . 1.0 110.56 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -57.77 -43.69 85.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.817 -0.809 . . . . 1.0 108.817 178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.6 tp -64.19 -38.36 90.76 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.367 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.63 -47.6 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 119.723 -0.791 . . . . 1.0 109.458 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.69 -43.62 75.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.595 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.44 64.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 110.218 -0.289 . . . . 1.0 110.218 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.6 mt -63.53 -44.52 98.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.626 -0.429 . . . . 1.0 110.107 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 59.2 mt -64.45 -41.65 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.244 -0.65 . . . . 1.0 109.244 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.17 -34.09 73.1 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.99 -1.005 . . . . 1.0 110.195 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.3 m -72.54 -45.39 59.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.46 -43.47 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.099 0.476 . . . . 1.0 109.812 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -60.42 -40.72 92.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.008 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -90.13 16.46 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -59.54 -46.71 88.08 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.722 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 t -121.47 31.94 6.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.346 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -149.45 119.28 7.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.225 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.982 -1.008 . . . . 1.0 110.343 179.801 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.438 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.438 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -65.89 -40.83 91.9 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.288 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -65.55 -54.23 30.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.84 -45.2 82.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.802 -0.636 . . . . 1.0 111.089 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.2 mt -62.22 -43.72 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.462 -0.495 . . . . 1.0 109.712 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 5.9 mm -70.54 -30.52 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.903 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 t -76.26 -32.07 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.186 0.517 . . . . 1.0 110.16 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.8 m -58.71 -47.18 85.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.48 -178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' GLY . 3.7 pt -58.95 -51.39 73.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.432 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.33 -35.5 92.15 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 110.471 -1.052 . . . . 1.0 110.471 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -56.69 -44.43 81.5 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.51 -0.922 . . . . 1.0 108.51 178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 tp -63.12 -38.92 93.09 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.42 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.18 -47.19 91.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 119.695 -0.802 . . . . 1.0 109.28 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -69.09 -43.35 74.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.648 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -54.75 -34.72 62.93 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 120.752 0.31 . . . . 1.0 110.485 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.5 mm -63.44 -44.11 98.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.014 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.61 -42.44 96.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.725 -0.842 . . . . 1.0 108.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -62.0 -33.62 74.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.2 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -71.05 -47.75 56.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.159 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.6 t -64.64 -43.67 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.071 0.462 . . . . 1.0 109.964 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -61.73 -40.59 95.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.138 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -80.32 -19.13 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.922 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -68.12 -36.29 79.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.823 0.344 . . . . 1.0 110.817 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 24' ' ' THR . 3.5 t -82.31 26.96 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.882 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -115.4 146.52 41.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.547 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.955 -1.022 . . . . 1.0 110.557 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.553 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.553 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -57.91 -47.91 81.44 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.26 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.62 -52.82 61.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.609 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -56.4 -45.19 80.75 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.646 -0.706 . . . . 1.0 111.155 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.29 -43.89 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.487 -0.485 . . . . 1.0 109.843 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 97.5 mt -69.29 -29.84 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 1.0 109.855 179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 t -77.07 -32.03 56.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.455 179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -58.89 -45.22 90.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.623 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 10' ' ' GLY . 4.4 pt -59.77 -50.28 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.957 0.408 . . . . 1.0 110.651 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -63.48 -35.34 91.91 Favored Glycine 0 C--N 1.314 -0.642 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -56.68 -45.46 81.71 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.378 -0.971 . . . . 1.0 108.378 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.7 -39.29 93.52 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.417 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 73.1 t -58.72 -47.34 89.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 119.537 -0.865 . . . . 1.0 109.468 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.69 -42.84 73.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.774 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.09 -35.63 59.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 120.599 0.237 . . . . 1.0 110.489 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.56 -44.29 98.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.045 0.45 . . . . 1.0 110.151 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 31.5 mm -64.72 -42.26 94.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 1.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.89 -35.06 75.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.963 -1.017 . . . . 1.0 110.053 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -67.76 -47.6 68.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.73 -42.64 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.867 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -58.08 -46.9 84.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -66.87 -39.67 87.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.904 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -50.87 -23.53 2.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.003 0.43 . . . . 1.0 110.806 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.2 p -113.71 31.64 6.37 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.152 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -62.11 -47.41 84.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.093 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.005 -0.998 . . . . 1.0 110.865 -179.944 . . . . . . . . 0 0 . 1 stop_ save_