data_1ot0_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 1ot0 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 28.94 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -111.41 36.95 3.03 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.8 -10.64 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.37 -27.39 0.68 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.876 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -68.95 -39.35 79.58 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.968 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -60.98 -29.7 69.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.744 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -42.31 98.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.301 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.91 -35.29 80.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.927 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.11 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.73 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.4 -36.28 81.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.235 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.78 -38.31 87.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.291 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -62.16 -31.84 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.223 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.79 -34.75 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.75 -31.44 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.06 -30.91 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.412 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 2.1 m95 -80.61 -30.11 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -78.9 -57.76 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 11.2 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.342 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -176.37 38.99 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 120.97 0.415 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.49 -15.29 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.37 -26.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.288 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -66.72 -37.03 83.87 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.104 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -61.6 -34.03 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.039 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.93 -40.37 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.28 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.4 -32.54 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.965 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -42.04 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.058 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -33.06 72.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.69 -31.66 72.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.061 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -62.69 -35.27 79.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -33.55 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.295 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG21 HD13 ' A' ' 15' ' ' ILE . 40.2 mt -63.89 -34.14 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.99 -32.63 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.208 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.53 -29.54 70.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.426 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -82.04 -47.38 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -85.08 129.85 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 33.24 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.34 38.56 1.9 Allowed 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.235 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.48 -13.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -47.18 -25.6 0.95 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.599 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -70.51 -34.76 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.535 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.64 -31.47 69.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -43.83 79.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.291 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.2 pt-20 -66.39 -25.27 66.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.25 -42.6 71.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.097 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -33.33 75.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.918 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.857 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -34.8 77.33 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.164 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.2 76.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.231 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.56 -31.77 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.407 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.63 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.383 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -67.65 -31.55 71.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -31.63 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 29.73 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.13 36.81 2.9 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.08 0.467 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.61 -12.44 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -44.11 -28.54 0.5 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.108 -1.406 . . . . 0.0 111.932 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -42.69 74.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.052 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -62.83 -31.91 73.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.919 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.74 94.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -31.61 70.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -31.73 69.62 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.767 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.282 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.07 -39.67 90.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.094 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -30.43 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.963 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HD3' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.69 -32.73 74.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.273 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -65.76 -34.41 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -31.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.429 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.49 -30.2 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.429 ' CE3' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.7 -28.82 30.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.822 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.65 105.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.67 30.58 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -132.62 38.07 3.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -65.65 -13.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -44.36 -28.42 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.827 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -42.54 82.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.091 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -61.56 -32.7 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.89 -38.89 92.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.208 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.18 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.419 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -36.65 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.145 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.86 -32.29 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.018 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -31.97 70.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 t -68.27 -31.53 71.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.263 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -68.78 -32.69 72.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt -69.82 -32.92 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -72.2 -32.37 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.292 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.48 -28.04 59.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -84.83 -28.99 25.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.58 173.5 10.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.6 33.48 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.02 37.15 3.58 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.134 0.492 . . . . 0.0 110.94 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.57 -11.88 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -46.23 -27.51 1.02 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.165 -1.379 . . . . 0.0 111.702 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -68.14 -37.21 80.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.014 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -44.56 96.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.122 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.93 -29.79 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.798 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -32.35 70.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.827 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -38.96 92.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.02 -33.09 74.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.107 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -30.62 71.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.104 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.95 89.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.339 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.92 -32.9 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.394 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.58 -31.0 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.294 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -68.15 -32.58 72.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.682 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -29.85 62.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -72.55 -168.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -98.66 -3.83 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.43 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -115.26 38.32 3.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.09 -12.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -27.89 0.94 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.605 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -66.87 -38.95 87.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.006 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -34.17 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.963 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.36 -41.15 93.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.252 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.31 -31.19 70.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.924 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -70.03 -34.19 72.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.912 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -35.57 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -65.86 -32.72 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.144 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -65.71 -31.99 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.167 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -35.68 81.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.407 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.2 mt -66.9 -32.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -31.18 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.301 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.01 -29.97 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -79.38 -30.06 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -65.89 -36.67 84.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.351 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -3.28 51.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.0 38.7 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.048 0.452 . . . . 0.0 111.247 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.58 -14.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -45.55 -27.61 0.78 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.449 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -65.9 -41.64 91.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.227 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -33.57 74.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.112 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.47 -29.64 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.271 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.95 -31.61 71.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.103 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -69.97 -48.43 58.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.8 -26.83 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -72.71 -30.24 64.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.778 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -35.49 80.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.296 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -66.59 -38.46 87.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.265 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 15' ' ' ILE . 56.0 mt -66.5 -29.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.258 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.25 -32.06 71.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.285 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.78 -36.5 70.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.554 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -28.09 25.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 38.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.06 37.84 1.48 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.6 -13.16 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -42.49 -29.49 0.28 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.742 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -46.55 77.72 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.107 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -62.26 -37.2 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.857 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.67 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.123 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -70.11 -44.2 69.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.988 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.94 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.822 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -69.29 -30.58 68.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -67.83 -33.77 75.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.334 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.9 -34.78 77.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 110.176 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.49 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.363 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -69.82 -34.96 74.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -29.73 63.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -85.0 -30.89 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.791 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -80.16 -175.15 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.816 0.341 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 29.55 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -167.16 35.91 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.92 -12.61 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -41.83 -29.7 0.21 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.936 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -48.64 67.13 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.997 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -61.01 -31.91 71.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.766 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.95 -35.76 81.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.079 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.85 -34.15 73.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.128 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -70.23 -33.89 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -32.78 74.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.968 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.306 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.17 -33.83 76.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.345 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -68.05 -36.92 80.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.184 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.74 -32.04 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.354 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -68.99 -32.93 72.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.323 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -27.11 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -39.19 26.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 142.2 29.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.62 8.01 40.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.18 0.67 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 -12.95 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -43.66 -28.85 0.44 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.733 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -43.95 83.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -62.35 -33.98 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.991 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.69 -36.74 85.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.245 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.93 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.162 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -70.14 -35.66 74.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.75 -34.9 78.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.228 179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.16 -34.26 75.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -67.98 -30.12 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.112 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -68.02 -32.14 72.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 HG21 HD11 ' A' ' 15' ' ' ILE . 35.4 mt -67.93 -34.22 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.602 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -32.1 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.2 -29.38 61.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.602 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -83.49 -29.0 28.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -78.4 119.28 21.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -98.56 30.63 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -124.04 37.25 4.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.065 0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.68 -12.54 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -43.38 -28.61 0.36 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.692 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -45.22 80.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.156 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -32.97 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.905 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -34.68 78.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.069 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.7 -33.72 76.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.197 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -67.14 -46.13 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.994 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -32.36 74.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.905 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.74 -31.61 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.937 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -32.32 73.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -65.9 -35.15 79.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -65.91 -32.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.448 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -30.06 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.389 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.58 61.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.57 -33.6 25.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 148.81 26.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 31.8 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.35 40.77 1.41 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.13 -17.97 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -47.83 -26.65 1.72 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.077 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -37.41 87.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.09 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -60.59 -33.82 73.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.17 94.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.285 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.22 -32.77 74.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.75 -41.35 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.098 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.82 -33.14 74.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.188 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.105 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -65.31 -33.4 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.167 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.214 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' HA ' ' CD1' ' A' ' 18' ' ' TRP . 8.8 mm -63.95 -32.06 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.363 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.37 -29.25 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.351 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.67 -29.04 65.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 6.9 m95 -82.2 -38.06 25.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -84.99 -30.18 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 37.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.84 38.21 4.15 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 t -65.04 -14.28 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.35 -27.86 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.631 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -43.52 83.69 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.261 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.64 -28.19 69.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.073 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.78 -37.14 81.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.49 -28.47 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.11 -45.41 66.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.114 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.59 -31.18 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.847 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -30.36 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.964 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.66 -35.29 79.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.65 -33.8 76.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mt -68.42 -31.22 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -31.12 68.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.44 -30.68 63.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -85.02 -31.22 23.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 121.36 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.773 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -98.16 36.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.25 38.68 2.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.084 0.469 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.45 -12.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.67 -26.74 0.98 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.671 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 16.9 tttt -69.1 -36.74 77.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.206 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -63.83 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.829 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.29 -45.99 85.6 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 2.7 pt-20 -64.87 -27.26 68.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -70.37 -38.34 74.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.176 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -33.89 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -30.13 69.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.098 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -36.27 81.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.264 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.21 -30.85 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.278 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.9 -31.15 67.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -84.37 -36.05 22.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.31 92.0 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -4.19 48.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 36.77 3.47 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.39 -13.4 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -40.82 -30.58 0.13 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.0 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -50.3 61.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.941 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -29.14 69.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.825 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.1 mt -66.47 -33.97 76.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.275 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.56 -31.52 72.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.303 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -69.95 -44.35 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.038 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -31.29 72.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -67.21 -31.4 71.76 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.097 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -65.5 -37.59 87.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -65.84 -38.67 89.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.246 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.52 -30.8 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.178 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.12 -31.88 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.2 -31.4 65.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.0 -32.19 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.71 71.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -99.9 31.34 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 37.25 0.35 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.93 -13.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -46.76 -27.35 1.17 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.781 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -37.42 77.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.176 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -34.39 78.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.013 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.57 -41.53 96.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.174 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.37 -29.42 68.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.904 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -34.44 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.998 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.61 -38.77 87.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.271 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.979 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -65.81 -31.98 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -64.32 -38.26 90.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.33 -33.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.368 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -29.99 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.302 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.96 -31.35 67.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -77.85 -30.15 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.774 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -76.16 -47.9 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.75 36.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -99.84 38.77 1.4 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.04 -13.58 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -45.7 -27.38 0.8 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.633 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -67.56 -39.23 84.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.105 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -35.04 77.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.026 179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -42.02 98.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.271 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.73 -29.26 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.026 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -39.39 78.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.069 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -29.9 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.889 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -65.16 -33.69 76.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.158 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -38.87 92.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.379 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -63.64 -31.48 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.286 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.55 -31.31 71.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.284 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -68.35 -31.65 71.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -83.13 -30.54 27.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -34.2 75.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.788 0.328 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -98.94 31.27 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.1 37.91 0.05 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.19 -12.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -45.2 -27.81 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.74 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -67.89 -40.05 83.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.084 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -33.21 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.945 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.54 -38.32 89.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.293 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -67.54 -32.94 74.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.226 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.08 -32.87 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.093 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.36 -33.67 74.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -33.47 74.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -68.06 -31.31 70.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.167 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -68.08 -33.33 74.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.255 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.5 mt -67.99 -32.29 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.475 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -31.62 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.384 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -73.54 -29.76 62.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -83.24 -29.72 28.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.24 121.89 15.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.15 -7.74 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.386 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 pttm 45.52 36.75 2.66 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.001 0.429 . . . . 0.0 111.791 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.15 -12.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -43.12 -28.98 0.33 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.837 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -67.21 -46.3 74.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.115 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -62.11 -32.18 72.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.892 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -32.17 73.68 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.17 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.79 -34.95 78.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.54 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 109.983 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -30.99 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.845 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.6 -32.48 73.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -37.43 83.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -67.18 -31.29 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.342 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -70.11 -30.88 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -73.28 -30.03 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.654 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -82.73 -29.95 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -42.68 84.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 28.94 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -111.41 36.95 3.03 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.8 -10.64 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.37 -27.39 0.68 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.876 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -68.95 -39.35 79.58 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.968 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -60.98 -29.7 69.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.744 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -42.31 98.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.301 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.91 -35.29 80.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.927 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.11 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.73 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.4 -36.28 81.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.235 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.78 -38.31 87.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.291 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -62.16 -31.84 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HD2' HD22 ' A' ' 11' ' ' LEU . 43.0 mttt -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.79 -34.75 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.75 -31.44 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.06 -30.91 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 2.1 m95 -80.61 -30.11 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -78.9 -57.76 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 11.2 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.342 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -176.37 38.99 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 120.97 0.415 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.64 HG13 ' HD3' ' A' ' 7' ' ' ARG . 17.4 t -63.49 -15.29 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.37 -26.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.288 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -66.72 -37.03 83.87 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.104 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.64 ' HD3' HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -61.6 -34.03 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.039 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.93 -40.37 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.28 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.4 -32.54 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.965 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -42.04 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.058 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -33.06 72.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.69 -31.66 72.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.061 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -62.69 -35.27 79.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -33.55 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.295 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.89 -34.14 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.99 -32.63 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.208 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.53 -29.54 70.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.426 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -82.04 -47.38 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -85.08 129.85 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 33.24 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.34 38.56 1.9 Allowed 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.235 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.48 -13.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -47.18 -25.6 0.95 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.599 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -70.51 -34.76 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.535 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.64 -31.47 69.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -43.83 79.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.291 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.2 pt-20 -66.39 -25.27 66.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.25 -42.6 71.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.097 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -33.33 75.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.918 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.857 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -34.8 77.33 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.164 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.2 76.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.231 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.56 -31.77 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.407 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.63 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.383 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -67.65 -31.55 71.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -31.63 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 29.73 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.13 36.81 2.9 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.08 0.467 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.61 -12.44 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -44.11 -28.54 0.5 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.108 -1.406 . . . . 0.0 111.932 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -42.69 74.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.052 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -62.83 -31.91 73.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.919 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.74 94.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -31.61 70.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -31.73 69.62 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.767 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.282 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.07 -39.67 90.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.094 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -30.43 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.963 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.69 -32.73 74.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.273 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -65.76 -34.41 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -31.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.429 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.49 -30.2 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CE3' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.7 -28.82 30.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.822 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.65 105.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.67 30.58 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -132.62 38.07 3.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -65.65 -13.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -44.36 -28.42 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.827 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -42.54 82.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.091 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -61.56 -32.7 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.89 -38.89 92.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.208 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.18 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.419 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -36.65 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.145 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.86 -32.29 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.018 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -31.97 70.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 t -68.27 -31.53 71.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.263 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -68.78 -32.69 72.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt -69.82 -32.92 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -72.2 -32.37 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.292 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.48 -28.04 59.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -84.83 -28.99 25.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.58 173.5 10.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.6 33.48 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.02 37.15 3.58 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.134 0.492 . . . . 0.0 110.94 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.57 -11.88 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -46.23 -27.51 1.02 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.165 -1.379 . . . . 0.0 111.702 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -68.14 -37.21 80.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.014 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -44.56 96.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.122 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.93 -29.79 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.798 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -32.35 70.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.827 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -38.96 92.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.02 -33.09 74.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.107 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -30.62 71.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.104 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.95 89.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.339 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.92 -32.9 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.394 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.58 -31.0 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.294 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -68.15 -32.58 72.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.682 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -29.85 62.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -72.55 -168.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -98.66 -3.83 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.43 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -115.26 38.32 3.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.09 -12.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -27.89 0.94 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.605 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -66.87 -38.95 87.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.006 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -34.17 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.963 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.36 -41.15 93.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.252 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.31 -31.19 70.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.924 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -70.03 -34.19 72.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.912 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -35.57 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -65.86 -32.72 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.144 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -65.71 -31.99 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.167 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -35.68 81.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.407 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.2 mt -66.9 -32.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -31.18 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.301 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.01 -29.97 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -79.38 -30.06 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -65.89 -36.67 84.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.351 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -3.28 51.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.0 38.7 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.048 0.452 . . . . 0.0 111.247 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.58 -14.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 56.7 t80 -45.55 -27.61 0.78 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.449 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -65.9 -41.64 91.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.227 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -33.57 74.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.112 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.1 mt -65.47 -29.64 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.271 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.95 -31.61 71.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.103 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -69.97 -48.43 58.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.4 pp -68.8 -26.83 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' N ' HD12 ' A' ' 11' ' ' LEU . 57.2 t80 -72.71 -30.24 64.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.778 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -35.49 80.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.296 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -66.59 -38.46 87.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.265 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.5 -29.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.258 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.25 -32.06 71.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.285 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.78 -36.5 70.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.554 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -28.09 25.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 38.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.06 37.84 1.48 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.6 -13.16 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -42.49 -29.49 0.28 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.742 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -46.55 77.72 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.107 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -62.26 -37.2 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.857 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.67 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.123 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -70.11 -44.2 69.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.988 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.94 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.822 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -69.29 -30.58 68.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -67.83 -33.77 75.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.334 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.9 -34.78 77.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 110.176 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.49 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.363 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -69.82 -34.96 74.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -29.73 63.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -85.0 -30.89 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.791 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -80.16 -175.15 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.816 0.341 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 29.55 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -167.16 35.91 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.92 -12.61 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -41.83 -29.7 0.21 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.936 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -48.64 67.13 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.997 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -61.01 -31.91 71.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.766 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.95 -35.76 81.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.079 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.85 -34.15 73.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.128 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -70.23 -33.89 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -32.78 74.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.968 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.306 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.17 -33.83 76.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.345 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -68.05 -36.92 80.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.184 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.74 -32.04 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.354 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -68.99 -32.93 72.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.323 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -27.11 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -39.19 26.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 142.2 29.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.62 8.01 40.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.18 0.67 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 -12.95 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -43.66 -28.85 0.44 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.733 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -43.95 83.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.3 mtt85 -62.35 -33.98 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.991 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.69 -36.74 85.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.245 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.93 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.162 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -70.14 -35.66 74.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 7' ' ' ARG . 3.8 mm? -66.75 -34.9 78.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.228 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.16 -34.26 75.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -67.98 -30.12 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.112 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -68.02 -32.14 72.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.93 -34.22 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.602 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -32.1 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.2 -29.38 61.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.602 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -83.49 -29.0 28.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -78.4 119.28 21.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -98.56 30.63 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -124.04 37.25 4.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.065 0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.68 -12.54 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -43.38 -28.61 0.36 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.692 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -45.22 80.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.156 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -32.97 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.905 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -34.68 78.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.069 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.7 -33.72 76.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.197 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -67.14 -46.13 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.994 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -32.36 74.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.905 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.74 -31.61 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.937 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -32.32 73.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -65.9 -35.15 79.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -65.91 -32.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.448 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -30.06 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.389 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.58 61.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.57 -33.6 25.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 148.81 26.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 31.8 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.35 40.77 1.41 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 7' ' ' ARG . 8.5 p -61.13 -17.97 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -47.83 -26.65 1.72 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.077 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -37.41 87.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.09 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.59 ' HD2' HG23 ' A' ' 4' ' ' VAL . 20.0 mtt85 -60.59 -33.82 73.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.17 94.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.285 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.22 -32.77 74.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.75 -41.35 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.098 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.3 tt -62.82 -33.14 74.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.105 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -65.31 -33.4 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.167 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.214 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 18' ' ' TRP . 8.8 mm -63.95 -32.06 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.363 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.37 -29.25 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.351 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.67 -29.04 65.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 6.9 m95 -82.2 -38.06 25.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -84.99 -30.18 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 37.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.84 38.21 4.15 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 t -65.04 -14.28 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.35 -27.86 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.631 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -43.52 83.69 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.261 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.64 -28.19 69.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.073 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.78 -37.14 81.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.49 -28.47 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.11 -45.41 66.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.114 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.59 -31.18 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.847 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -30.36 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.964 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.66 -35.29 79.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.65 -33.8 76.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mt -68.42 -31.22 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -31.12 68.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.44 -30.68 63.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -85.02 -31.22 23.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 121.36 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.773 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -98.16 36.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.25 38.68 2.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.084 0.469 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.45 -12.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.67 -26.74 0.98 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.671 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 16.9 tttt -69.1 -36.74 77.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.206 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -63.83 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.829 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.29 -45.99 85.6 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 2.7 pt-20 -64.87 -27.26 68.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -70.37 -38.34 74.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.176 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -33.89 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -30.13 69.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.098 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -36.27 81.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.264 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.21 -30.85 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.278 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.9 -31.15 67.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -84.37 -36.05 22.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.31 92.0 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -4.19 48.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 36.77 3.47 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.39 -13.4 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' HA ' HD12 ' A' ' 8' ' ' LEU . 19.5 t80 -40.82 -30.58 0.13 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.0 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -50.3 61.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.941 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -29.14 69.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.825 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.1 mt -66.47 -33.97 76.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.275 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.56 -31.52 72.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.303 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -69.95 -44.35 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.038 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -31.29 72.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -67.21 -31.4 71.76 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.097 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -65.5 -37.59 87.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -65.84 -38.67 89.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.246 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.52 -30.8 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.178 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.12 -31.88 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.2 -31.4 65.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.0 -32.19 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.71 71.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -99.9 31.34 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 37.25 0.35 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG13 ' HD3' ' A' ' 7' ' ' ARG . 55.6 t -65.93 -13.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -46.76 -27.35 1.17 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.781 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -37.42 77.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.176 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.489 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.48 -34.39 78.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.013 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.57 -41.53 96.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.174 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.37 -29.42 68.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.904 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -34.44 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.998 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.61 -38.77 87.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.271 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.979 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -65.81 -31.98 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -64.32 -38.26 90.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.33 -33.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.368 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -29.99 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.302 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.96 -31.35 67.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -77.85 -30.15 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.774 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -76.16 -47.9 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.75 36.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -99.84 38.77 1.4 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' NE ' ' A' ' 7' ' ' ARG . 7.2 p -65.04 -13.58 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -45.7 -27.38 0.8 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.633 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -67.56 -39.23 84.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.105 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' NE ' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -62.0 -35.04 77.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.026 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -42.02 98.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.271 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.73 -29.26 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.026 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -39.39 78.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.069 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -29.9 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.889 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -65.16 -33.69 76.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.158 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -38.87 92.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.379 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -63.64 -31.48 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.286 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.55 -31.31 71.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.284 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -68.35 -31.65 71.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -83.13 -30.54 27.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -34.2 75.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.788 0.328 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -98.94 31.27 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.1 37.91 0.05 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.19 -12.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -45.2 -27.81 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.74 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -67.89 -40.05 83.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.084 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -33.21 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.945 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.54 -38.32 89.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.293 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -67.54 -32.94 74.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.226 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.08 -32.87 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.093 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.36 -33.67 74.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -33.47 74.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -68.06 -31.31 70.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.167 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -68.08 -33.33 74.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.255 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.5 mt -67.99 -32.29 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.475 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -31.62 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.384 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -73.54 -29.76 62.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -83.24 -29.72 28.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.24 121.89 15.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -100.15 -7.74 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.386 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 pttm 45.52 36.75 2.66 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.001 0.429 . . . . 0.0 111.791 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 2' ' ' LYS . 61.4 t -68.15 -12.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -43.12 -28.98 0.33 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.837 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -67.21 -46.3 74.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.115 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -62.11 -32.18 72.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.892 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -32.17 73.68 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.17 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.79 -34.95 78.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.54 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 109.983 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -30.99 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.845 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.6 -32.48 73.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -37.43 83.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -67.18 -31.29 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.342 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -70.11 -30.88 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -73.28 -30.03 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.654 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -82.73 -29.95 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -42.68 84.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.824 0.345 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.06 28.94 4.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -111.41 36.95 3.03 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-O 121.147 0.499 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.0 t -67.8 -10.64 12.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.37 -27.39 0.68 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.876 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -68.95 -39.35 79.58 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.968 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -60.98 -29.7 69.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.744 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.97 -42.31 98.09 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.301 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.91 -35.29 80.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.927 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -31.11 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.73 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -62.4 -36.28 81.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.235 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.78 -38.31 87.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.291 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -62.16 -31.84 72.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.115 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HD2' HD22 ' A' ' 11' ' ' LEU . 43.0 mttt -63.45 -32.76 74.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.223 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.79 -34.75 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.75 -31.44 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.487 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -72.06 -30.91 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.682 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 2.1 m95 -80.61 -30.11 36.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -78.9 -57.76 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.345 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.863 0.364 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 11.2 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.342 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -176.37 38.99 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 120.97 0.415 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.64 HG13 ' HD3' ' A' ' 7' ' ' ARG . 17.4 t -63.49 -15.29 16.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -47.37 -26.76 1.39 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.025 -1.443 . . . . 0.0 111.288 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -66.72 -37.03 83.87 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.104 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.64 ' HD3' HG13 ' A' ' 4' ' ' VAL . 1.1 mpt_? -61.6 -34.03 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.039 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.93 -40.37 95.26 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.28 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -63.4 -32.54 74.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.965 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -42.04 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.058 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.67 -33.06 72.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -63.69 -31.66 72.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.061 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -62.69 -35.27 79.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.307 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -33.55 75.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.295 179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -63.89 -34.14 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -62.99 -32.63 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.208 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -65.53 -29.54 70.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.426 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -82.04 -47.38 12.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -85.08 129.85 34.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.794 0.331 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.58 33.24 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -140.34 38.56 1.9 Allowed 'General case' 0 CA--C 1.515 -0.404 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.235 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.48 -13.21 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -47.18 -25.6 0.95 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.008 -1.451 . . . . 0.0 111.599 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -70.51 -34.76 72.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.535 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mmm-85 -69.64 -31.47 69.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -43.83 79.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.291 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.2 pt-20 -66.39 -25.27 66.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -70.25 -42.6 71.95 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.097 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -33.33 75.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.918 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.857 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -34.8 77.33 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.164 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -35.2 76.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.231 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 mm -62.56 -31.77 53.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.407 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -32.63 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.383 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -67.65 -31.55 71.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -31.63 23.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -174.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 29.73 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.13 36.81 2.9 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.08 0.467 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.61 -12.44 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -44.11 -28.54 0.5 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.108 -1.406 . . . . 0.0 111.932 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -42.69 74.98 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.052 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -62.83 -31.91 73.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.919 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.51 -39.74 94.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -31.61 70.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.996 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -31.73 69.62 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.767 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -35.88 81.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.282 179.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -66.07 -39.67 90.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.094 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -30.43 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.963 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HD3' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -65.69 -32.73 74.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.273 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.9 mt -65.76 -34.41 70.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -31.9 71.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.429 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.49 -30.2 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.442 ' CE3' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.7 -28.82 30.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.822 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.65 105.02 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.67 30.58 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.96 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -132.62 38.07 3.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.023 0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -65.65 -13.31 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -44.36 -28.42 0.54 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.827 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -42.54 82.79 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.091 179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -61.56 -32.7 72.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.9 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.89 -38.89 92.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.208 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -65.18 -33.73 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.419 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -36.65 75.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.145 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.86 -32.29 71.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.018 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.23 -31.97 70.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.094 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.9 t -68.27 -31.53 71.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.263 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -68.78 -32.69 72.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.342 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mt -69.82 -32.92 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -72.2 -32.37 66.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.292 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.48 -28.04 59.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -84.83 -28.99 25.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.58 173.5 10.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.829 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.6 33.48 2.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.02 37.15 3.58 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.134 0.492 . . . . 0.0 110.94 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.57 -11.88 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -46.23 -27.51 1.02 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.165 -1.379 . . . . 0.0 111.702 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 tttm -68.14 -37.21 80.82 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.014 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -34.24 74.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.996 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -44.56 96.92 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.122 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.93 -29.79 68.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.798 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -32.35 70.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.827 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -38.96 92.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.323 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -64.02 -33.09 74.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.107 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.01 -30.62 71.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.104 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -37.95 89.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.339 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.6 mt -63.92 -32.9 58.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.394 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.58 -31.0 71.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.294 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -68.15 -32.58 72.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.682 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -73.82 -29.85 62.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -72.55 -168.43 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.799 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.384 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.817 0.342 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -98.66 -3.83 35.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.43 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -115.26 38.32 3.26 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.014 0.435 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.09 -12.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -45.8 -27.89 0.94 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.605 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -66.87 -38.95 87.31 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.006 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -34.17 73.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.963 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.36 -41.15 93.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.252 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -68.31 -31.19 70.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.924 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -70.03 -34.19 72.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.912 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -35.57 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.155 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -65.86 -32.72 74.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.144 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.8 m -65.71 -31.99 73.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.167 179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.76 -35.68 81.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.407 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.2 mt -66.9 -32.74 59.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.456 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -31.18 69.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.301 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.01 -29.97 64.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -79.38 -30.06 42.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -65.89 -36.67 84.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.836 0.351 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.95 -3.28 51.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.385 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -172.0 38.7 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.048 0.452 . . . . 0.0 111.247 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.58 -14.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 56.7 t80 -45.55 -27.61 0.78 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 114.037 -1.438 . . . . 0.0 111.449 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -65.9 -41.64 91.23 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.227 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -33.57 74.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.112 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 1.1 mt -65.47 -29.64 70.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.271 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -67.95 -31.61 71.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.103 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -69.97 -48.43 58.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.115 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 12' ' ' PHE . 4.4 pp -68.8 -26.83 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' N ' HD12 ' A' ' 11' ' ' LEU . 57.2 t80 -72.71 -30.24 64.04 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.778 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.62 -35.49 80.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.296 179.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -66.59 -38.46 87.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.265 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.5 -29.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.258 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -69.25 -32.06 71.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.285 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.78 -36.5 70.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.554 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -28.09 25.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -178.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.377 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.9 38.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.06 37.84 1.48 Allowed 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.6 -13.16 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -42.49 -29.49 0.28 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.742 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -46.55 77.72 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.107 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.1 mtp85 -62.26 -37.2 84.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.857 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.67 -34.22 77.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.081 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.123 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -70.11 -44.2 69.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.988 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.94 -31.93 72.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.822 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -69.29 -30.58 68.7 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.0 m -67.83 -33.77 75.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.334 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -67.9 -34.78 77.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 110.176 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.49 -29.75 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.363 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -69.82 -34.96 74.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.417 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.55 -29.73 63.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -85.0 -30.89 23.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.791 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -80.16 -175.15 4.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.367 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.816 0.341 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.91 29.55 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -167.16 35.91 0.04 OUTLIER 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.103 0.478 . . . . 0.0 111.013 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.92 -12.61 15.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -41.83 -29.7 0.21 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.126 -1.397 . . . . 0.0 111.936 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.26 -48.64 67.13 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.997 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -61.01 -31.91 71.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.766 178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.95 -35.76 81.19 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.079 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.85 -34.15 73.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.128 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -70.23 -33.89 72.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.972 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -32.78 74.34 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.968 179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.07 -34.27 78.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.306 179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.17 -33.83 76.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.345 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -68.05 -36.92 80.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.184 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.3 mt -66.74 -32.04 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.354 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -68.99 -32.93 72.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.323 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -27.11 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -39.19 26.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.808 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 142.2 29.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.62 8.01 40.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.62 37.18 0.67 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 -12.95 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -43.66 -28.85 0.44 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.733 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -43.95 83.18 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.191 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.3 mtt85 -62.35 -33.98 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.991 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.69 -36.74 85.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.245 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.93 -31.52 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.162 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -70.14 -35.66 74.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.945 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 7' ' ' ARG . 3.8 mm? -66.75 -34.9 78.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.228 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -68.16 -34.26 75.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.172 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -67.98 -30.12 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.112 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -68.02 -32.14 72.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.232 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.93 -34.22 65.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.602 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -32.1 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -74.2 -29.38 61.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.602 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -83.49 -29.0 28.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -78.4 119.28 21.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.302 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.815 0.34 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -98.56 30.63 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -124.04 37.25 4.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.065 0.459 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.68 -12.54 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -43.38 -28.61 0.36 Allowed 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.692 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -45.22 80.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.156 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -32.97 73.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.905 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -34.68 78.45 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.069 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -63.7 -33.72 76.26 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.197 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -67.14 -46.13 75.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.994 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -32.36 74.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.905 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -69.74 -31.61 69.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.937 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -32.32 73.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.189 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -65.9 -35.15 79.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.299 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 mm -65.91 -32.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.448 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -30.06 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.389 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.58 61.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -83.57 -33.6 25.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.71 148.81 26.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.45 31.8 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.793 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.35 40.77 1.41 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.193 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.59 HG23 ' HD2' ' A' ' 7' ' ' ARG . 8.5 p -61.13 -17.97 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 176.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -47.83 -26.65 1.72 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.801 -1.545 . . . . 0.0 111.077 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -37.41 87.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.09 179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.59 ' HD2' HG23 ' A' ' 4' ' ' VAL . 20.0 mtt85 -60.59 -33.82 73.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -40.17 94.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.285 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -63.22 -32.77 74.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.134 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.75 -41.35 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.098 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.3 tt -62.82 -33.14 74.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.188 179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.88 -31.58 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.105 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.6 p -65.31 -33.4 75.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.167 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.18 -36.33 83.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.214 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 18' ' ' TRP . 8.8 mm -63.95 -32.06 55.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.363 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -66.37 -29.25 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.351 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -70.67 -29.04 65.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' ILE . 6.9 m95 -82.2 -38.06 25.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -84.99 -30.18 24.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 37.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.84 38.21 4.15 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 111.187 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.0 t -65.04 -14.28 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.35 -27.86 0.48 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.631 178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -43.52 83.69 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.261 179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.0 mmm-85 -63.64 -28.19 69.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.073 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.78 -37.14 81.66 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.404 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -65.49 -28.47 69.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.863 0.363 . . . . 0.0 110.209 179.418 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.11 -45.41 66.96 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.114 179.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.0 tp -65.59 -31.18 72.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.847 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -30.36 69.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.964 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -66.66 -35.29 79.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -66.65 -33.8 76.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.324 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mt -68.42 -31.22 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -31.12 68.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -73.44 -30.68 63.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -85.02 -31.22 23.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 121.36 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.355 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.773 0.321 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -98.16 36.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.25 38.68 2.97 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.084 0.469 . . . . 0.0 111.176 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.45 -12.93 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -46.67 -26.74 0.98 Allowed 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.671 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 16.9 tttt -69.1 -36.74 77.89 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.206 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -63.83 -32.3 73.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.829 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.29 -45.99 85.6 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.385 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 2.7 pt-20 -64.87 -27.26 68.74 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -70.37 -38.34 74.73 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.176 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -33.89 76.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.137 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -30.13 69.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.098 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -67.82 -35.11 78.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -36.27 81.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.264 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.21 -30.85 50.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.221 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -30.53 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.278 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.9 -31.15 67.7 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.675 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -84.37 -36.05 22.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.31 92.0 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -4.19 48.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.58 36.77 3.47 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.084 0.469 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.39 -13.4 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' HA ' HD12 ' A' ' 8' ' ' LEU . 19.5 t80 -40.82 -30.58 0.13 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 114.056 -1.429 . . . . 0.0 112.0 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -50.3 61.4 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.941 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -29.14 69.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.825 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 5' ' ' PHE . 29.1 mt -66.47 -33.97 76.88 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.275 179.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.56 -31.52 72.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.303 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -69.95 -44.35 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.038 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.97 -31.29 72.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.846 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -67.21 -31.4 71.76 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.097 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -65.5 -37.59 87.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.333 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -65.84 -38.67 89.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.246 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.52 -30.8 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.178 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -69.12 -31.88 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -72.2 -31.4 65.84 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.0 -32.19 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.71 71.8 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.836 0.351 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -99.9 31.34 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.0 37.25 0.35 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG13 ' HD3' ' A' ' 7' ' ' ARG . 55.6 t -65.93 -13.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -46.76 -27.35 1.17 Allowed 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 114.024 -1.443 . . . . 0.0 111.781 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -37.42 77.43 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.176 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.489 ' HD3' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -64.48 -34.39 78.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.013 179.19 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.57 -41.53 96.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.174 179.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.37 -29.42 68.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.904 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -34.44 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.998 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.61 -38.77 87.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.271 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -66.37 -31.73 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.979 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -65.81 -31.98 73.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.059 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -64.32 -38.26 90.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.474 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.4 mt -65.33 -33.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.368 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.27 -29.99 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.302 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -70.96 -31.35 67.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.695 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -77.85 -30.15 50.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.774 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -76.16 -47.9 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.774 0.321 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.75 36.14 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -99.84 38.77 1.4 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG23 ' NE ' ' A' ' 7' ' ' ARG . 7.2 p -65.04 -13.58 15.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 176.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -45.7 -27.38 0.8 Allowed 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.633 178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -67.56 -39.23 84.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.105 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.47 ' NE ' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -62.0 -35.04 77.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.026 179.229 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -42.02 98.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.271 179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.73 -29.26 69.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.026 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.19 -39.39 78.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.069 179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.38 -36.79 85.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.158 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -29.9 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.889 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -65.16 -33.69 76.6 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.158 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -38.87 92.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.379 179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.9 mt -63.64 -31.48 53.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.286 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.55 -31.31 71.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.284 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -68.35 -31.65 71.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.664 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -83.13 -30.54 27.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -34.2 75.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.788 0.328 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -98.94 31.27 3.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.1 37.91 0.05 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.06 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.19 -12.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -45.2 -27.81 0.68 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.74 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -67.89 -40.05 83.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.084 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -33.21 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.945 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -62.54 -38.32 89.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.293 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -67.54 -32.94 74.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.226 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -70.08 -32.87 71.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.093 179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mt -68.36 -33.67 74.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.169 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.83 -33.47 74.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.1 p -68.06 -31.31 70.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.167 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -68.08 -33.33 74.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.255 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.5 mt -67.99 -32.29 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.475 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -31.62 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.384 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -73.54 -29.76 62.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -83.24 -29.72 28.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.24 121.89 15.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.783 0.325 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' CG ' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -100.15 -7.74 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.386 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.8 pttm 45.52 36.75 2.66 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.001 0.429 . . . . 0.0 111.791 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.535 HG23 ' CG ' ' A' ' 2' ' ' LYS . 61.4 t -68.15 -12.24 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -43.12 -28.98 0.33 Allowed 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.837 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -67.21 -46.3 74.26 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.115 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -62.11 -32.18 72.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.892 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.48 -32.17 73.68 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.17 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.79 -34.95 78.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -38.54 75.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 109.983 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.73 -30.99 71.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.845 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -66.6 -32.48 73.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -37.43 83.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.293 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.2 mt -67.18 -31.29 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.342 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -70.11 -30.88 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -73.28 -30.03 63.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.654 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -82.73 -29.95 29.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -42.68 84.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.805 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_