data_1lcx_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 1lcx _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 core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.543 0.211 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.42 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.602 0.239 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 8' ' ' TRP . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.519 0.2 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.6 0.238 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.515 0.198 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.684 0.278 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.483 0.182 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.534 0.207 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.417 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.35 27.86 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.11 129.06 35.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.57 -26.34 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.31 18.02 4.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.523 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -72.42 -9.2 58.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 tp 60.35 47.33 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.47 -173.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.6 -56.05 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.14 7.61 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.667 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.13 -12.59 46.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.4 mt -131.94 -46.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.12 131.13 43.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -79.51 -27.86 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 9.89 18.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.538 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.41 15.95 5.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.444 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.48 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.02 164.26 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.52 -25.31 28.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.12 9.04 21.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.638 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.11 -10.2 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.42 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.863 0.363 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.61 33.15 3.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.74 119.8 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.96 -2.91 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.416 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.11 11.36 14.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.6 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.3 16.5 5.22 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.65 38.23 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.69 -177.4 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -82.8 -30.05 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.26 15.98 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.572 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -80.26 -0.47 36.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -77.49 -33.74 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.28 13.83 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.521 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -57.15 -54.26 48.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.24 11.53 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.636 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.06 6.79 30.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.83 31.65 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.16 12.02 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.527 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.0 -24.78 18.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.787 0.327 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 19.01 3.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.498 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.49 -4.07 43.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.08 179.74 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.05 -7.03 58.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.367 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -87.04 9.98 17.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.6 0.238 . . . . 0.0 111.523 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.36 18.95 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.462 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 8' ' ' TRP . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -125.48 41.41 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 1.5 mm? -83.45 127.63 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.04 5.78 35.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' CD2' ' CD1' ' A' ' 3' ' ' LEU . 2.9 pp -87.34 16.27 5.51 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -10.74 57.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.423 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.29 -23.24 62.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.65 117.73 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.63 -16.95 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 7.38 24.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.632 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.4 12.66 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.492 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.731 0.3 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.89 31.31 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.03 161.04 25.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.95 -19.81 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.2 0.81 34.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.68 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -87.27 -5.08 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.412 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.64 29.38 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.569 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 tp -82.06 151.9 26.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.969 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 -28.19 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.26 12.5 11.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.526 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.15 13.17 9.95 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tt 60.22 32.78 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.73 116.52 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -87.11 5.82 35.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.422 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.1 7.7 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 111.54 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.18 -9.24 55.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.367 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.773 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.55 42.09 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 mt -73.39 123.94 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -76.27 -23.13 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.13 10.12 17.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.619 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.19 9.11 21.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.858 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.82 -28.9 8.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.96 117.49 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -87.12 -26.44 23.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.037 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.24 6.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.684 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 4.37 39.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.17 39.29 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.07 151.39 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.97 -24.35 24.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 8.19 24.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.619 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 8.47 24.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.438 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -132.22 37.69 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.8 mt -76.62 176.05 8.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.16 -25.91 61.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.28 16.83 4.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.597 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -76.05 -3.49 36.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.26 38.23 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.05 119.28 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -13.94 42.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.1 11.7 13.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.719 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -78.55 -5.77 53.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.864 0.364 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.67 -45.33 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.91 112.03 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.2 -25.58 23.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.238 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.64 6.23 24.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.917 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.26 -20.32 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 59.6 31.07 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.69 111.33 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.96 -14.19 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.24 20.68 2.67 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.483 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.42 1.9 39.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.07 39.91 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 173.44 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -66.89 -19.82 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.33 19.41 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.611 179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -81.91 1.25 36.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.448 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.949 0.404 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.78 65.95 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 154.92 39.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.99 -2.62 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.2 15.69 5.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.5 -0.41 29.4 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.91 45.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mp -59.4 173.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.82 -30.23 21.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.05 7.49 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.557 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.14 -15.88 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.417 ' CD1' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.342 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 59.59 55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.55 153.17 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -11.09 55.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 16.02 5.63 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.892 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.37 -12.57 61.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.543 0.211 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' HD11 ' A' ' 11' ' ' LEU . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 8' ' ' TRP . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.466 ' CD2' HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 8' ' ' TRP . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.602 0.239 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 11' ' ' LEU . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 8' ' ' TRP . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.519 0.2 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.6 0.238 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CE3' HD12 ' A' ' 11' ' ' LEU . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD12 ' CE3' ' A' ' 8' ' ' TRP . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.515 0.198 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.684 0.278 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.771 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.483 0.182 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.822 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.7 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.534 0.207 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.507 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 8' ' ' TRP . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.35 27.86 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.11 129.06 35.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.57 -26.34 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.31 18.02 4.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.523 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -72.42 -9.2 58.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 tp 60.35 47.33 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.47 -173.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.6 -56.05 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.14 7.61 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.667 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.13 -12.59 46.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.4 mt -131.94 -46.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.12 131.13 43.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -79.51 -27.86 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 9.89 18.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.538 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.41 15.95 5.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.444 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' HD11 ' A' ' 11' ' ' LEU . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 8' ' ' TRP . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.48 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.02 164.26 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.52 -25.31 28.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.12 9.04 21.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.638 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.11 -10.2 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 3' ' ' LEU . 1.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.863 0.363 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.61 33.15 3.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 1' ' ' GLU . 15.2 mt -73.74 119.8 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.96 -2.91 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.416 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.11 11.36 14.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.6 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.3 16.5 5.22 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.2 pp -110.65 38.23 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.69 -177.4 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -82.8 -30.05 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.26 15.98 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.572 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -80.26 -0.47 36.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -77.49 -33.74 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.28 13.83 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.521 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -57.15 -54.26 48.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.24 11.53 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.636 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.06 6.79 30.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.83 31.65 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.16 12.02 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.527 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.0 -24.78 18.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.787 0.327 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 19.01 3.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.498 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.49 -4.07 43.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.466 ' CD2' HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 8' ' ' TRP . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -87.08 179.74 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.05 -7.03 58.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.367 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 3' ' ' LEU . 1.1 pp -87.04 9.98 17.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.6 0.238 . . . . 0.0 111.523 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.36 18.95 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.462 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 11' ' ' LEU . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 8' ' ' TRP . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.523 ' C ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 1' ' ' GLU . 4.0 mm? -125.48 41.41 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.027 HD12 HD23 ' A' ' 5' ' ' LEU . 1.5 mm? -83.45 127.63 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.04 5.78 35.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.027 HD23 HD12 ' A' ' 3' ' ' LEU . 2.9 pp -87.34 16.27 5.51 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -10.74 57.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.29 -23.24 62.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.65 117.73 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.63 -16.95 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 7.38 24.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.632 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.4 12.66 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.492 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.731 0.3 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.89 31.31 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 5' ' ' LEU . 1.5 mt -67.03 161.04 25.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.95 -19.81 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.713 ' CD2' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -81.2 0.81 34.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.68 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -87.27 -5.08 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.412 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CE3' HD12 ' A' ' 11' ' ' LEU . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD12 ' CE3' ' A' ' 8' ' ' TRP . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.64 29.38 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.569 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' A' ' 5' ' ' LEU . 3.9 tp -82.06 151.9 26.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 -28.19 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -87.26 12.5 11.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.526 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.15 13.17 9.95 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 2' ' ' LEU . 1.1 tt 60.22 32.78 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.73 116.52 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -87.11 5.82 35.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.422 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.1 7.7 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 111.54 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.18 -9.24 55.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.367 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.773 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.55 42.09 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 mt -73.39 123.94 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -76.27 -23.13 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.13 10.12 17.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.619 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.19 9.11 21.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.858 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HG ' HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -109.82 -28.9 8.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.532 HD22 ' HG ' ' A' ' 2' ' ' LEU . 4.4 mm? -58.96 117.49 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -87.12 -26.44 23.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.037 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.24 6.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.684 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 4.37 39.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.771 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.17 39.29 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.07 151.39 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.97 -24.35 24.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 8.19 24.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.619 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 8.47 24.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.438 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -132.22 37.69 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.8 mt -76.62 176.05 8.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.16 -25.91 61.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.28 16.83 4.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.597 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -76.05 -3.49 36.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.26 38.23 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 5' ' ' LEU . 13.4 mt -66.05 119.28 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -13.94 42.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -87.1 11.7 13.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.719 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -78.55 -5.77 53.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.822 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.864 0.364 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -107.67 -45.33 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.91 112.03 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.2 -25.58 23.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.238 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.64 6.23 24.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.917 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.26 -20.32 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 2' ' ' LEU . 2.9 mm? 59.6 31.07 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.69 111.33 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.96 -14.19 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.24 20.68 2.67 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.483 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.42 1.9 39.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.7 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.07 39.91 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -79.34 173.44 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.578 ' H ' HD23 ' A' ' 3' ' ' LEU . 24.7 mt-10 -66.89 -19.82 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.33 19.41 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.611 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -81.91 1.25 36.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.448 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.949 0.404 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.78 65.95 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 154.92 39.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.99 -2.62 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.2 15.69 5.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.5 -0.41 29.4 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.507 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 8' ' ' TRP . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.91 45.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 5' ' ' LEU . 2.9 mp -59.4 173.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.82 -30.23 21.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -87.05 7.49 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.557 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.14 -15.88 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.488 ' CG ' HD23 ' A' ' 3' ' ' LEU . 1.8 tp10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.342 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 59.59 55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.676 HD12 HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.55 153.17 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -11.09 55.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.676 HD23 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.2 16.02 5.63 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.892 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.37 -12.57 61.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.543 0.211 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' HD11 ' A' ' 11' ' ' LEU . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 8' ' ' TRP . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.466 ' CD2' HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 8' ' ' TRP . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.602 0.239 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 11' ' ' LEU . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 8' ' ' TRP . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.519 0.2 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.6 0.238 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CE3' HD12 ' A' ' 11' ' ' LEU . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 HD12 ' CE3' ' A' ' 8' ' ' TRP . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.515 0.198 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 120.684 0.278 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.771 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.483 0.182 . . . . 0.0 111.438 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 CA--C 1.529 0.154 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.822 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.7 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.534 0.207 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 CA--C 1.529 0.145 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.507 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 8' ' ' TRP . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.851 0.358 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -107.35 27.86 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.11 129.06 35.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.57 -26.34 30.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.31 18.02 4.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.523 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.5 p-10 -72.42 -9.2 58.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.644 0.259 . . . . 0.0 111.391 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -66.96 -14.04 62.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.801 0.334 . . . . 0.0 111.381 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.2 m0 -78.08 -4.68 48.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.04 -27.93 68.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.755 0.312 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -16.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.288 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.13 -1.82 58.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.269 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -124.92 27.16 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.82 0.343 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 tp 60.35 47.33 9.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.47 -173.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.6 -56.05 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.14 7.61 27.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.667 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.13 -12.59 46.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -66.35 -17.53 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.363 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -87.14 -1.68 58.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.439 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.96 20.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -75.7 -21.25 57.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -87.14 -3.38 59.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.289 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -137.27 28.23 2.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.982 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.829 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.4 mt -131.94 -46.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.12 131.13 43.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -79.51 -27.86 41.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 9.89 18.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.538 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.41 15.95 5.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.444 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.14 -9.67 56.36 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.687 0.279 . . . . 0.0 111.534 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.562 ' HA ' HD11 ' A' ' 11' ' ' LEU . 33.8 p-90 -67.91 -14.3 62.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 111.192 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.11 -22.47 25.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.248 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.16 7.67 24.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.577 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' ' 8' ' ' TRP . 5.5 mt -87.05 -1.98 58.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.731 0.3 . . . . 0.0 111.28 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 p-90 -141.31 30.38 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.866 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.833 0.349 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.48 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.02 164.26 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -84.52 -25.31 28.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.12 9.04 21.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.638 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.11 -10.2 53.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 111.269 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -67.78 -22.97 65.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.002 0.429 . . . . 0.0 111.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -82.94 -2.4 54.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.287 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.26 -20.78 31.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.674 0.274 . . . . 0.0 111.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -14.34 62.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.373 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.06 -1.34 57.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.429 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -146.26 31.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 110.855 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.848 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.709 ' HG2' HD12 ' A' ' 3' ' ' LEU . 1.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.863 0.363 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.61 33.15 3.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.709 HD12 ' HG2' ' A' ' 1' ' ' GLU . 15.2 mt -73.74 119.8 18.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.96 -2.91 58.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.416 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.11 11.36 14.08 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.6 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.3 16.5 5.22 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -76.6 -4.91 45.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.589 0.233 . . . . 0.0 111.509 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -81.4 -2.09 48.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.309 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.36 -2.79 43.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.59 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -8.26 55.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 111.388 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -87.05 -2.3 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.739 0.304 . . . . 0.0 111.294 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -131.04 31.15 4.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.893 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.825 0.345 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 2' ' ' LEU . 1.2 pp -110.65 38.23 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.69 -177.4 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -82.8 -30.05 29.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.26 15.98 5.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.572 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -80.26 -0.47 36.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.535 0.207 . . . . 0.0 111.485 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -73.19 -8.31 55.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.618 0.246 . . . . 0.0 111.48 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -8.67 57.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.286 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -20.92 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.259 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.83 0.1 32.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.554 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.9 -4.04 55.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.661 0.267 . . . . 0.0 111.253 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -116.52 -8.68 11.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.418 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.887 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.817 0.341 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 tt -77.49 -33.74 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.28 13.83 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.521 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -57.15 -54.26 48.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.24 11.53 13.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.636 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.06 6.79 30.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.589 0.233 . . . . 0.0 111.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -78.81 -5.36 53.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.696 0.284 . . . . 0.0 111.394 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -87.05 -3.79 59.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.334 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.8 -16.93 58.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.384 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -16.13 59.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.418 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.97 -2.21 58.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.16 -10.62 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.313 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.921 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.863 0.363 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.83 31.65 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.16 12.02 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.527 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -54.0 -24.78 18.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.787 0.327 . . . . 0.0 111.171 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.32 19.01 3.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.498 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -77.49 -4.07 43.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.603 0.24 . . . . 0.0 111.477 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -64.04 -15.46 59.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.739 0.304 . . . . 0.0 111.361 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.466 ' CD2' HD11 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -80.43 -5.83 57.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.376 179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.04 -21.63 25.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.25 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 p -75.47 -4.88 42.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.481 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 8' ' ' TRP . 7.3 mt -79.46 -3.87 48.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.745 0.307 . . . . 0.0 111.281 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.41 31.3 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.916 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.01 36.06 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -87.08 179.74 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.952 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.05 -7.03 58.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.367 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 3' ' ' LEU . 1.1 pp -87.04 9.98 17.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.6 0.238 . . . . 0.0 111.523 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -87.36 18.95 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.462 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -76.02 -3.27 34.84 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.539 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 11' ' ' LEU . 1.1 m95 -73.67 -7.53 52.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.655 0.264 . . . . 0.0 111.355 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.87 2.56 37.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.587 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -74.41 -7.86 54.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.7 0.286 . . . . 0.0 111.291 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 8' ' ' TRP . 4.9 mt -86.8 0.19 55.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.161 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.5 m0 -97.08 30.51 2.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.898 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.523 ' C ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 1' ' ' GLU . 4.0 mm? -125.48 41.41 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.027 HD12 HD23 ' A' ' 5' ' ' LEU . 1.5 mm? -83.45 127.63 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.04 5.78 35.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.557 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.027 HD23 HD12 ' A' ' 3' ' ' LEU . 2.9 pp -87.34 16.27 5.51 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.56 -10.74 57.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.636 0.255 . . . . 0.0 111.521 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -60.75 -18.68 56.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 111.259 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -87.05 -3.33 59.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.28 54.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.813 0.339 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 8' ' ' TRP . 2.6 mt -87.1 -1.19 57.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.308 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -99.78 30.48 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.916 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.891 0.377 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -59.29 -23.24 62.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.4 mp -54.65 117.73 3.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.63 -16.95 43.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.305 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 7.38 24.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.632 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.4 12.66 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.492 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -76.27 -4.46 42.12 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 111.598 0.221 . . . . 0.0 111.598 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' O ' HD23 ' A' ' 11' ' ' LEU . 29.9 t-105 -82.55 0.04 44.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.607 0.242 . . . . 0.0 111.394 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.15 10.35 17.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.605 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -87.2 12.13 12.43 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.546 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.6 pp -83.45 1.89 39.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.571 0.224 . . . . 0.0 111.466 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -164.86 32.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.896 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.731 0.3 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt -109.89 31.31 5.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.713 HD22 ' CD2' ' A' ' 5' ' ' LEU . 1.5 mt -67.03 161.04 25.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -86.95 -19.81 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.713 ' CD2' HD22 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -81.2 0.81 34.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.68 -179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -87.27 -5.08 59.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.412 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -70.66 -10.25 58.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.685 0.278 . . . . 0.0 111.479 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.52 ' CE3' HD12 ' A' ' 11' ' ' LEU . 73.2 m95 -83.03 -1.98 54.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.231 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.6 -35.67 20.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -27.34 62.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 HD12 ' CE3' ' A' ' 8' ' ' TRP . 3.5 mt -87.22 -3.2 59.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.294 179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -149.25 70.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.911 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.675 0.274 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mp 60.64 29.38 18.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.569 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' A' ' 5' ' ' LEU . 3.9 tp -82.06 151.9 26.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.969 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.53 -28.19 23.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -87.26 12.5 11.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.526 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.15 13.17 9.95 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.461 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -76.45 -2.14 30.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -76.14 -4.56 42.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.585 0.231 . . . . 0.0 111.495 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.68 -15.75 59.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.656 0.265 . . . . 0.0 111.535 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -17.68 30.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.508 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.8 mt -80.82 -3.34 50.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.237 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -110.9 53.1 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.993 0.425 . . . . 0.0 110.844 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.885 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.818 0.342 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 2' ' ' LEU . 1.1 tt 60.22 32.78 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.73 116.52 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -87.11 5.82 35.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.422 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.1 7.7 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.612 0.244 . . . . 0.0 111.54 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.18 -9.24 55.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.367 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -61.73 -19.79 62.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -87.08 6.67 31.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.403 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.64 3.72 43.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.539 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.94 -8.11 56.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.663 0.268 . . . . 0.0 111.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -87.08 -2.14 58.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.318 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -100.24 30.99 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.956 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.773 0.32 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.55 42.09 14.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.1 mt -73.39 123.94 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -76.27 -23.13 54.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.13 10.12 17.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.619 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.19 9.11 21.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.637 0.256 . . . . 0.0 111.429 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.39 -11.86 61.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.625 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -75.71 -6.91 52.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.436 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.44 19.07 3.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.735 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.34 1.31 37.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.523 0.201 . . . . 0.0 111.517 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -87.31 17.23 4.53 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 m95 63.97 31.04 13.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.899 0.38 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.7 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.883 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.858 0.361 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.532 ' HG ' HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -109.82 -28.9 8.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.992 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.532 HD22 ' HG ' ' A' ' 2' ' ' LEU . 4.4 mm? -58.96 117.49 4.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -87.12 -26.44 23.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.037 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.15 15.24 6.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.684 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.3 4.37 39.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -22.64 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.971 0.415 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.771 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.9 m0 -87.36 8.45 24.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.47 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.05 9.82 18.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.19 10.3 17.35 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.746 -0.207 . . . . 0.0 111.481 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.7 pp -85.1 3.64 37.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.559 0.218 . . . . 0.0 111.489 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -146.87 78.34 1.49 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.895 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.17 39.29 19.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.1 mt -66.07 151.39 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -86.97 -24.35 24.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.99 8.19 24.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.619 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 8.47 24.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.438 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -22.12 61.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.874 0.369 . . . . 0.0 111.285 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -87.02 -14.38 41.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.338 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.36 -28.67 22.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 m -73.42 -8.15 54.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.571 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.7 mt -76.0 -13.92 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 111.266 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 179.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.852 0.358 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 tp -132.22 37.69 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.8 mt -76.62 176.05 8.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.16 -25.91 61.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.28 16.83 4.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.597 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -76.05 -3.49 36.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.579 0.228 . . . . 0.0 111.472 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -72.09 -5.56 36.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.672 0.272 . . . . 0.0 111.608 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -86.54 12.88 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.493 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.18 13.24 9.88 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t -81.21 -1.06 43.33 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.605 0.24 . . . . 0.0 111.459 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 8' ' ' TRP . 1.4 pp -87.2 14.62 7.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.56 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.34 30.37 3.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.778 0.323 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.86 0.362 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.26 38.23 4.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.479 HD22 HD21 ' A' ' 5' ' ' LEU . 13.4 mt -66.05 119.28 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.08 -13.94 42.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.273 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD21 HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -87.1 11.7 13.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.719 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -78.55 -5.77 53.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.597 0.236 . . . . 0.0 111.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 mtpp -78.2 -5.07 50.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.46 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.822 ' O ' HD23 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -86.89 -8.49 57.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.341 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.3 -22.71 32.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.327 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.5 p -87.16 11.44 13.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.466 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -78.6 -3.79 45.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.712 0.291 . . . . 0.0 111.455 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.87 80.79 1.88 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.996 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.864 0.364 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -107.67 -45.33 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.7 mp -86.91 112.03 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.2 -25.58 23.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.238 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.64 6.23 24.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.917 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.26 -20.32 27.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.814 0.34 . . . . 0.0 111.272 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -71.58 -21.43 61.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -87.3 6.96 30.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.147 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.44 -7.24 53.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.502 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.3 p -75.98 -5.42 46.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.67 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mt -86.99 0.18 55.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.68 0.276 . . . . 0.0 111.331 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -97.05 30.01 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.891 179.842 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.814 0.34 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 2' ' ' LEU . 2.9 mm? 59.6 31.07 20.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.69 111.33 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -75.96 -14.19 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.224 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.24 20.68 2.67 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.483 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.42 1.9 39.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.597 0.237 . . . . 0.0 111.494 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.81 -16.9 62.41 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.873 0.368 . . . . 0.0 111.353 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.7 ' O ' HD23 ' A' ' 11' ' ' LEU . 22.4 m95 -87.38 16.18 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.575 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.47 3.33 32.61 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.36 12.25 12.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.577 0.227 . . . . 0.0 111.503 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -79.55 -2.07 40.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.662 0.268 . . . . 0.0 111.438 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.1 t-105 -148.52 84.54 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.802 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.07 39.91 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -79.34 173.44 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.578 ' H ' HD23 ' A' ' 3' ' ' LEU . 24.7 mt-10 -66.89 -19.82 65.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.33 19.41 3.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.611 179.928 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -81.91 1.25 36.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.695 -0.23 . . . . 0.0 111.448 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -17.21 59.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.367 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -5.09 50.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.38 18.59 3.71 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 t -87.14 10.01 18.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.601 0.238 . . . . 0.0 111.495 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.05 3.65 37.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.614 0.245 . . . . 0.0 111.407 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -140.5 31.03 1.9 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.758 0.313 . . . . 0.0 110.809 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.949 0.404 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.78 65.95 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.65 154.92 39.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.99 -2.62 58.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.293 179.789 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.2 15.69 5.98 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.684 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.5 -0.41 29.4 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -75.72 -3.37 34.4 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.572 0.225 . . . . 0.0 111.473 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.507 ' O ' HD23 ' A' ' 11' ' ' LEU . 2.1 m-90 -87.08 10.59 16.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.422 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.52 1.88 35.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.567 0.222 . . . . 0.0 111.583 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.1 p -76.38 -5.87 49.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.712 -0.222 . . . . 0.0 111.499 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 8' ' ' TRP . 3.2 pp -80.54 -0.79 39.16 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.628 0.252 . . . . 0.0 111.482 179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -118.49 27.85 8.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.879 179.962 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.873 0.368 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.91 45.54 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 5' ' ' LEU . 2.9 mp -59.4 173.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.82 -30.23 21.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.026 -179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 3' ' ' LEU . 0.5 OUTLIER -87.05 7.49 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.557 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.14 -15.88 37.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.278 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -23.99 67.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 111.203 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD11 ' A' ' 11' ' ' LEU . 92.3 t90 -78.63 -10.53 59.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.184 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.14 -23.4 24.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.05 8.9 21.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.636 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 8' ' ' TRP . 7.1 mt -86.03 -5.06 59.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.733 0.301 . . . . 0.0 111.283 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -6.31 9.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.474 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.488 ' CG ' HD23 ' A' ' 3' ' ' LEU . 1.8 tp10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.817 0.342 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 59.59 55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.792 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.676 HD12 HD23 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -84.55 153.17 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -11.09 55.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.334 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.676 HD23 HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -87.2 16.02 5.63 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.892 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.37 -12.57 61.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.656 0.265 . . . . 0.0 111.454 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -23.09 58.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.993 0.425 . . . . 0.0 110.992 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 59.4 m95 -87.17 -4.37 59.11 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.252 179.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.49 -53.17 12.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.826 0.346 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -25.72 63.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.103 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.21 -2.36 58.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.266 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -161.87 87.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.772 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.873 179.944 . . . . . . . . 0 0 . 1 stop_ save_