data_5irt_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 5irt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.591 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.654 ' HG1' ' H ' ' A' ' 187' ' ' GLU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.654 ' H ' ' HG1' ' A' ' 186' ' ' THR . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.591 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.588 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.668 ' HG1' ' H ' ' B' ' 187' ' ' GLU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . 0.668 ' H ' ' HG1' ' B' ' 186' ' ' THR . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.588 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.561 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.561 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.407 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.793 0.33 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.577 ' O ' ' OG1' ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.577 ' O ' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.629 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.629 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.591 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.591 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.583 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.583 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.582 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.582 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.731 0.3 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.537 ' O ' ' OG1' ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.713 0.292 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.556 ' O ' ' OG1' ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.882 0.372 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.589 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.567 ' N ' ' CG2' ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.584 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.565 ' CG2' ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.584 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.605 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.605 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.724 0.297 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.594 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.594 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . 0.401 HG22 ' N ' ' B' ' 192' ' ' GLN . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . 0.401 ' N ' HG22 ' B' ' 191' ' ' VAL . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . 0.572 ' HZ1' ' CB ' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.575 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.575 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . 0.578 ' HZ1' ' CB ' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.414 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.413 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.641 0.258 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.587 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.569 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.569 ' N ' ' CG2' ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.587 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.617 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.617 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.691 0.281 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.526 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.526 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.789 0.328 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.51 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.51 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.407 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 62.6 m-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.577 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.578 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.578 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.723 0.297 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.614 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.614 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.765 0.317 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.589 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.458 ' CD ' ' N ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.414 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.76 0.314 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.542 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.542 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.559 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.559 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.781 0.324 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.572 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.572 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.758 0.313 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.597 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.597 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.632 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.632 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 73.2 m-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.691 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.684 0.278 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.576 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.403 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.576 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' A' ' 187' ' ' GLU . 49.1 t30 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' TRP . . . . . 0.484 ' O ' ' OG1' ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' MET . . . . . 0.433 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.682 0.277 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 183' ' ' ASN . . . . . 0.431 ' OD1' ' OE2' ' B' ' 187' ' ' GLU . 50.2 t30 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 184' ' ' TRP . . . . . 0.542 ' O ' ' OG1' ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 185' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 187' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 188' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 189' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 185' ' ' MET . 19.2 tm0? -61.8 -35.71 79.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.78 144.28 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 181' ' ' VAL . 44.5 t -156.01 111.18 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 178' ' ' SER . 63.6 tt0 26.28 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 178' ' ' SER . 88.2 tt0 -54.97 -49.28 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.582 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.591 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 176' ' ' GLN . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.654 ' HG1' ' H ' ' A' ' 187' ' ' GLU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.654 ' H ' ' HG1' ' A' ' 186' ' ' THR . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.591 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.83 -42.88 98.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 33.9 p30 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.565 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.498 ' O ' ' SD ' ' B' ' 185' ' ' MET . 62.2 tt0 -147.62 137.35 22.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.18 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 181' ' ' VAL . 38.7 t -156.77 109.82 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' B' ' 178' ' ' SER . 63.7 tt0 26.34 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.6 tt0 -54.72 -49.56 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.588 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 176' ' ' GLN . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.668 ' HG1' ' H ' ' B' ' 187' ' ' GLU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.668 ' H ' ' HG1' ' B' ' 186' ' ' THR . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.588 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -148.99 -77.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -80.89 -13.84 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.557 ' O ' ' N ' ' A' ' 181' ' ' VAL . 16.9 t 56.16 -135.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 178' ' ' SER . 11.1 tp-100 36.36 -103.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.622 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.71 -42.0 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 178' ' ' SER . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.561 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.561 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -62.75 -41.53 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.599 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 177' ' ' ALA . 12.5 tm-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 51.63 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.518 ' N ' ' OE1' ' B' ' 175' ' ' GLU . . . -90.86 -10.59 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.562 ' O ' ' N ' ' B' ' 181' ' ' VAL . 18.1 t 56.63 -135.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' B' ' 178' ' ' SER . 11.1 tp-100 36.04 -103.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -42.27 95.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' B' ' 178' ' ' SER . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.407 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -133.23 -66.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -75.03 -15.21 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.67 ' HG ' ' H ' ' A' ' 179' ' ' GLN . 8.1 t 58.43 -151.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.67 ' H ' ' HG ' ' A' ' 178' ' ' SER . 65.6 tt0 32.93 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.2 mt-10 -53.18 -66.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.655 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.545 ' CG2' ' N ' ' A' ' 178' ' ' SER . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.577 ' O ' ' OG1' ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.6 -40.92 96.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 50.3 p30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -97.31 -80.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -77.86 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.694 ' HG ' ' H ' ' B' ' 179' ' ' GLN . 8.3 t 58.92 -151.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.694 ' H ' ' HG ' ' B' ' 178' ' ' SER . 65.1 tt0 32.63 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -53.12 -66.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.688 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.579 ' CG2' ' N ' ' B' ' 178' ' ' SER . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.577 ' O ' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.435 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.483 ' O ' ' CE ' ' A' ' 185' ' ' MET . 18.2 pt20 -64.66 -26.32 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.34 116.77 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.533 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 48.5 t -164.35 134.61 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 42.58 -117.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.48 -41.07 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.629 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.629 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.19 -40.56 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.51 ' O ' ' CE ' ' B' ' 185' ' ' MET . 26.1 pt20 -66.85 -30.37 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.597 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.29 115.41 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 44.3 t -164.03 134.79 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 41.98 -117.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.6 -40.97 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.591 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.591 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.14 -36.76 85.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.701 ' O ' ' O ' ' A' ' 178' ' ' SER . . . -55.67 -51.91 65.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.701 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 42.85 171.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 110.763 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.473 ' CD ' ' N ' ' A' ' 179' ' ' GLN . 3.0 mp0 -80.35 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.95 -42.65 99.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.583 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.583 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.47 -42.78 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.559 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' B' ' 178' ' ' SER . 6.3 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.18 -41.39 99.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.63 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -88.62 -62.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.63 ' O ' ' O ' ' B' ' 177' ' ' ALA . 0.0 OUTLIER 45.62 170.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 110.675 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.462 ' CD ' ' N ' ' B' ' 179' ' ' GLN . 2.9 mp0 -80.23 -55.5 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.15 -43.38 95.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.582 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.582 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 51.63 80.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -104.07 -137.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 181' ' ' VAL . 10.8 t -158.69 -132.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 40.89 -106.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.46 -41.6 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' SER . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.537 ' O ' ' OG1' ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.45 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.537 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 56.5 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.57 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 59.4 mp0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -76.8 140.27 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.612 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -107.18 -139.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.409 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 181' ' ' VAL . 9.0 t -157.87 -132.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 40.99 -107.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' B' ' 178' ' ' SER . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.556 ' O ' ' OG1' ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.556 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.484 ' N ' ' OE1' ' A' ' 175' ' ' GLU . 59.2 mp0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -151.98 159.85 43.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.37 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.92 78.19 1.73 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.679 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.6 p -72.8 164.0 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -62.27 -42.17 99.1 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.436 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -62.43 -42.19 99.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.589 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.567 ' N ' ' CG2' ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.35 -41.48 98.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.369 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -74.7 153.54 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.27 82.12 1.88 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.456 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 82.5 p -72.92 164.3 26.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.78 -42.08 99.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -61.96 -42.55 99.25 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.584 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.565 ' CG2' ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.565 ' N ' ' CG2' ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.584 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -91.0 1.1 57.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -52.66 138.65 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 82.01 134.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.562 -179.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.52 -38.4 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.34 -45.05 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.605 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.605 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -62.97 -40.44 97.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.581 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 57.1 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.16 -1.61 6.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -49.6 136.3 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 82.26 133.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.74 -39.03 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.52 -45.44 88.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.594 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.594 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . 0.401 HG22 ' N ' ' B' ' 192' ' ' GLN . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . 0.401 ' N ' HG22 ' B' ' 191' ' ' VAL . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 177' ' ' ALA . 77.3 mm-40 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 57.89 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 175' ' ' GLU . . . 72.66 -157.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 30.5 t -166.45 174.62 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.426 ' HG3' ' H ' ' A' ' 180' ' ' GLU . 10.9 tp60 59.87 -145.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 179' ' ' GLN . 14.8 tm-20 -60.72 -37.06 80.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . 0.572 ' CB ' ' HZ1' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.575 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.575 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 30.5 p30 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.54 ' O ' ' SD ' ' B' ' 185' ' ' MET . 24.8 pt-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 68.47 -158.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 32.5 t -165.92 175.67 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.415 ' HG3' ' H ' ' B' ' 180' ' ' GLU . 9.3 tp60 58.53 -146.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 179' ' ' GLN . 15.3 tm-20 -59.58 -37.57 78.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . 0.578 ' CB ' ' HZ1' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.54 ' SD ' ' O ' ' B' ' 175' ' ' GLU . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 177' ' ' ALA . 73.0 tp60 -148.61 136.75 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 176' ' ' GLN . . . -58.61 -126.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 177' ' ' ALA . 4.5 m 56.32 117.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.491 ' NE2' ' H ' ' A' ' 179' ' ' GLN . 4.4 mp0 -62.41 -40.61 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -62.27 -42.11 99.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.7 t30 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.551 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 177' ' ' ALA . 72.3 tp60 -60.92 -38.26 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -58.47 -124.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.478 ' O ' ' O ' ' B' ' 177' ' ' ALA . 4.1 m 55.74 116.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.489 ' NE2' ' H ' ' B' ' 179' ' ' GLN . 4.3 mp0 -62.3 -41.45 98.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.586 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.71 -45.9 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.413 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' N ' ' SD ' ' A' ' 185' ' ' MET . 19.9 pt-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.679 ' NE2' ' CD1' ' B' ' 184' ' ' TRP . 16.9 mp0 -115.92 169.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.659 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.48 79.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 68.8 m -44.74 118.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.43 -38.43 91.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.95 -42.83 90.76 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.482 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.587 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 175' ' ' GLU . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.569 ' CG2' ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.569 ' N ' ' CG2' ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.587 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -41.25 97.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.546 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -155.33 179.1 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.62 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 57.5 m -40.77 116.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.71 -38.79 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -43.59 89.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.679 ' CD1' ' NE2' ' A' ' 176' ' ' GLN . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.563 ' CG2' ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.563 ' N ' ' CG2' ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.617 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -83.58 128.46 34.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.7 146.76 26.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 36.8 t -150.55 108.97 3.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.567 ' C ' ' O ' ' A' ' 178' ' ' SER . 49.9 tt0 25.25 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.6 mt-10 -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 179' ' ' GLN . 66.5 m-80 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.526 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.526 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.548 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.68 -40.45 95.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -135.29 145.28 47.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.577 ' O ' ' N ' ' B' ' 181' ' ' VAL . 46.9 t -150.77 108.89 3.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' B' ' 178' ' ' SER . 49.5 tt0 25.83 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.735 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' B' ' 178' ' ' SER . 98.6 mt-10 -56.13 -49.48 73.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' B' ' 178' ' ' SER . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' B' ' 179' ' ' GLN . 66.9 m-80 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.51 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.51 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.407 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 62.6 m-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.594 ' H ' ' NE2' ' A' ' 176' ' ' GLN . 78.3 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.594 ' NE2' ' H ' ' A' ' 175' ' ' GLU . 26.6 mp0 -99.98 23.13 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -57.93 144.05 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 1.7 p 81.7 130.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.84 -36.85 85.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -58.68 -44.88 90.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.419 ' CG2' ' OG ' ' A' ' 178' ' ' SER . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.577 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.577 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.04 -44.1 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.481 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.462 ' OE1' ' SD ' ' B' ' 185' ' ' MET . 3.5 tp-100 -151.71 30.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -89.78 148.31 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 1.8 p 81.55 132.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.82 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.59 -44.89 85.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.457 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.413 ' CG2' ' OG ' ' B' ' 178' ' ' SER . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.578 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.462 ' SD ' ' OE1' ' B' ' 176' ' ' GLN . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.578 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.5 134.11 52.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.92 129.7 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 43.0 t -154.18 111.71 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.555 ' C ' ' O ' ' A' ' 178' ' ' SER . 66.5 tt0 26.61 -93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.8 mt-10 -57.22 -47.82 80.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.614 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.614 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.13 -41.01 97.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 -179.651 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.448 ' H ' ' H ' ' B' ' 176' ' ' GLN . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.512 ' O ' ' CE ' ' B' ' 185' ' ' MET . 28.2 mm100 -77.39 144.13 38.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.46 130.59 24.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.573 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 t -154.07 111.0 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.552 ' C ' ' O ' ' B' ' 178' ' ' SER . 66.4 tt0 26.88 -94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -56.12 -48.02 77.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.636 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.573 ' N ' ' O ' ' B' ' 178' ' ' SER . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.589 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.512 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.589 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' A' ' 175' ' ' GLU . 57.7 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -89.19 146.84 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 178' ' ' SER . . . 47.37 58.74 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 181' ' ' VAL . 4.8 m -49.79 -103.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' SER . 25.8 mt-30 35.49 -105.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.458 ' CD ' ' N ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER -60.44 -42.25 95.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 -178.717 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 178' ' ' SER . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.651 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 55.4 mp0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -154.61 153.63 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 178' ' ' SER . . . 42.18 55.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.608 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.52 ' O ' ' N ' ' B' ' 181' ' ' VAL . 6.1 m -47.66 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 178' ' ' SER . 25.9 mt-30 35.55 -106.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER -60.25 -42.17 94.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 -178.747 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' B' ' 178' ' ' SER . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.414 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.494 ' N ' ' HE1' ' B' ' 184' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -63.61 -40.67 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 47.6 93.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 179' ' ' GLN . 36.6 t -145.4 122.95 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.623 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 178' ' ' SER . 97.9 mm-40 37.73 -111.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.649 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.73 -44.88 77.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 178' ' ' SER . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.542 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.542 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.39 -44.92 95.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -136.71 149.19 47.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 46.37 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 181' ' ' VAL . 40.5 t -148.21 122.56 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 178' ' ' SER . 98.2 mm-40 38.17 -111.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.739 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.73 -44.88 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.665 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 178' ' ' SER . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.559 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.559 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 175' ' ' GLU . 17.0 pm0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -100.18 129.33 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.607 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 50.37 -165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 181' ' ' VAL . 13.8 p -169.64 -116.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.456 ' H ' ' HG ' ' A' ' 178' ' ' SER . 27.8 mm100 35.0 -103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.755 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.76 -42.05 96.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 178' ' ' SER . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.572 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.572 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? -70.28 -23.36 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 189' ' ' LEU . 57.0 t-20 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.514 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -77.29 148.0 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 55.04 -164.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.565 ' O ' ' N ' ' B' ' 181' ' ' VAL . 12.6 p -170.91 -115.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' B' ' 178' ' ' SER . 27.6 mm100 34.67 -103.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.99 -41.95 97.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' B' ' 178' ' ' SER . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.627 ' C ' ' H ' ' A' ' 177' ' ' ALA . 81.9 tt0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.522 ' O ' ' CE ' ' A' ' 185' ' ' MET . 74.8 mt-30 66.91 -34.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.627 ' H ' ' C ' ' A' ' 175' ' ' GLU . . . -119.28 124.09 45.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.567 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 181' ' ' VAL . 61.3 m -152.85 114.8 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 178' ' ' SER . 78.5 mt-30 33.44 -103.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.7 -45.17 81.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 178' ' ' SER . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.597 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.597 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.506 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.07 -41.69 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 189' ' ' LEU . 70.2 m-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . 0.47 ' HG3' ' H ' ' B' ' 177' ' ' ALA . 21.9 pt-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.454 ' O ' ' CE ' ' B' ' 185' ' ' MET . 16.2 pt20 -62.87 -29.96 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.47 ' H ' ' HG3' ' B' ' 175' ' ' GLU . . . -118.29 119.96 36.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.449 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 181' ' ' VAL . 68.3 m -147.84 115.8 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.687 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 178' ' ' SER . 78.9 mt-30 32.72 -103.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.24 -45.87 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' B' ' 178' ' ' SER . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.632 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.454 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.632 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 73.2 m-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 175' ' ' GLU . 59.6 mp0 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -88.0 -1.39 57.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . 65.49 -139.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.542 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 77.5 126.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -63.98 -38.57 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.61 -44.39 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.79 -41.67 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.535 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' B' ' 177' ' ' ALA . 45.9 tt0 -63.13 -37.23 86.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . 82.3 -143.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 81.1 126.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.468 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -62.94 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.64 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.576 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.403 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.576 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.642 HE22 HD21 ' B' ' 183' ' ' ASN . 18.9 pt20 -60.69 -19.04 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.525 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -150.97 155.78 39.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 181' ' ' VAL . 29.8 p -114.13 -119.69 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 40.94 -109.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.09 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.552 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 178' ' ' SER . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' A' ' 187' ' ' GLU . 49.1 t30 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' TRP . . . . . 0.484 ' O ' ' OG1' ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' MET . . . . . 0.433 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.77 -41.26 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.554 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.57 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.58 44.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 p -113.41 -120.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 40.88 -109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -60.36 -42.44 95.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 178' ' ' SER . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' ASN . . . . . 0.642 HD21 HE22 ' A' ' 176' ' ' GLN . 50.2 t30 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.542 ' O ' ' OG1' ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 188' ' ' THR . . . . . 0.542 ' OG1' ' O ' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 189' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.566 HG22 HG22 ' B' ' 181' ' ' VAL . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.566 HG22 HG22 ' A' ' 181' ' ' VAL . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 181' ' ' VAL . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.56 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.56 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 181' ' ' VAL . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.562 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.416 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.562 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.793 0.33 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' B' ' 181' ' ' VAL . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.721 ' CD1' HG21 ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.429 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.721 HG21 ' CD1' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' A' ' 181' ' ' VAL . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.718 ' CD1' HG21 ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.718 HG21 ' CD1' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 191' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 191' ' ' VAL . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 181' ' ' VAL . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.623 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.623 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 189' ' ' LEU . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 181' ' ' VAL . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.547 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' B' ' 181' ' ' VAL . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 181' ' ' VAL . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.538 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.538 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.731 0.3 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.428 HG22 HG22 ' B' ' 181' ' ' VAL . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.758 ' CD1' HG21 ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.758 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.713 0.292 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.428 HG22 HG22 ' A' ' 181' ' ' VAL . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.74 ' CD1' HG21 ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.445 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.74 HG21 ' CD1' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 180' ' ' GLU . 56.9 mp0 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.882 0.372 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' B' ' 181' ' ' VAL . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 186' ' ' THR . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.512 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.648 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.648 ' N ' HG23 ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 180' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 180' ' ' GLU . 58.1 mp0 . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 181' ' ' VAL . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 182' ' ' LYS . . . . . 0.46 ' O ' HG22 ' B' ' 186' ' ' THR . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.68 HG23 ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 187' ' ' GLU . . . . . 0.68 ' N ' HG23 ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.595 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.724 0.297 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.44 ' OE1' HG21 ' B' ' 181' ' ' VAL . 14.8 tm-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' B' ' 181' ' ' VAL . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.417 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 180' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 181' ' ' VAL . 15.3 tm-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 181' ' ' VAL . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 182' ' ' LYS . . . . . 0.474 ' HB3' ' HZ3' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.549 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.426 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 181' ' ' VAL . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.408 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 181' ' ' VAL . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.42 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.641 0.258 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' B' ' 181' ' ' VAL . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.569 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.641 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.641 ' N ' HG23 ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.569 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 181' ' ' VAL . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 182' ' ' LYS . . . . . 0.425 ' O ' HG22 ' B' ' 186' ' ' THR . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.666 HG23 ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 187' ' ' GLU . . . . . 0.666 ' N ' HG23 ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.691 0.281 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.512 HG22 HG22 ' B' ' 181' ' ' VAL . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.789 0.328 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 181' ' ' VAL . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.5 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.404 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' B' ' 181' ' ' VAL . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.409 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 181' ' ' VAL . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.487 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.407 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.487 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.723 0.297 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.765 0.317 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 189' ' ' LEU . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.458 ' CD ' ' N ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 181' ' ' VAL . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.528 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.528 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 181' ' ' VAL . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.422 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.76 0.314 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.532 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 189' ' ' LEU . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.518 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.415 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.518 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.781 0.324 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.406 HG22 HG22 ' B' ' 181' ' ' VAL . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.536 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 191' ' ' VAL . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.536 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 187' ' ' GLU . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 192' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.758 0.313 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 181' ' ' VAL . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.514 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 187' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 191' ' ' VAL . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 191' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 187' ' ' GLU . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' B' ' 181' ' ' VAL . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.58 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.58 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 189' ' ' LEU . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' A' ' 181' ' ' VAL . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.585 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.585 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 189' ' ' LEU . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.691 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' B' ' 181' ' ' VAL . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.684 0.278 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 181' ' ' VAL . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.551 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.412 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.551 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ASN . . . . . 0.582 ' ND2' ' OE2' ' A' ' 187' ' ' GLU . 16.3 t-20 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' TRP . . . . . 0.738 ' CD1' HG21 ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' MET . . . . . 0.447 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLU . . . . . 0.582 ' OE2' ' ND2' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' THR . . . . . 0.738 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.682 0.277 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 183' ' ' ASN . . . . . 0.581 ' ND2' ' OE2' ' B' ' 187' ' ' GLU . 15.9 t-20 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 184' ' ' TRP . . . . . 0.731 ' CD1' HG21 ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 185' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 187' ' ' GLU . . . . . 0.581 ' OE2' ' ND2' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 188' ' ' THR . . . . . 0.731 HG21 ' CD1' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 189' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 185' ' ' MET . 19.2 tm0? -61.8 -35.71 79.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.78 144.28 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 181' ' ' VAL . 44.5 t -156.01 111.18 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 178' ' ' SER . 63.6 tt0 26.28 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 178' ' ' SER . 88.2 tt0 -54.97 -49.28 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.582 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 176' ' ' GLN . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.83 -42.88 98.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 33.9 p30 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.565 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.498 ' O ' ' SD ' ' B' ' 185' ' ' MET . 62.2 tt0 -147.62 137.35 22.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.18 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 181' ' ' VAL . 38.7 t -156.77 109.82 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' B' ' 178' ' ' SER . 63.7 tt0 26.34 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.6 tt0 -54.72 -49.56 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 176' ' ' GLN . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -148.99 -77.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -80.89 -13.84 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.557 ' O ' ' N ' ' A' ' 181' ' ' VAL . 16.9 t 56.16 -135.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 178' ' ' SER . 11.1 tp-100 36.36 -103.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.622 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.71 -42.0 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 178' ' ' SER . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.56 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.56 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -62.75 -41.53 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.599 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 177' ' ' ALA . 12.5 tm-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 51.63 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.518 ' N ' ' OE1' ' B' ' 175' ' ' GLU . . . -90.86 -10.59 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.562 ' O ' ' N ' ' B' ' 181' ' ' VAL . 18.1 t 56.63 -135.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' B' ' 178' ' ' SER . 11.1 tp-100 36.04 -103.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -42.27 95.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' B' ' 178' ' ' SER . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.562 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.416 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.562 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -133.23 -66.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -75.03 -15.21 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 180' ' ' GLU . 8.1 t 58.43 -151.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 178' ' ' SER . 65.6 tt0 32.93 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.2 mt-10 -53.18 -66.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.655 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' B' ' 181' ' ' VAL . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.721 ' CD1' HG21 ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.429 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.721 HG21 ' CD1' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.6 -40.92 96.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 50.3 p30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -97.31 -80.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -77.86 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.579 ' N ' ' CG2' ' B' ' 181' ' ' VAL . 8.3 t 58.92 -151.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' B' ' 178' ' ' SER . 65.1 tt0 32.63 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -53.12 -66.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.688 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' A' ' 181' ' ' VAL . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.718 ' CD1' HG21 ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.718 HG21 ' CD1' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 191' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 191' ' ' VAL . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.483 ' O ' ' CE ' ' A' ' 185' ' ' MET . 18.2 pt20 -64.66 -26.32 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.34 116.77 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.533 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.437 ' H ' ' HB ' ' A' ' 181' ' ' VAL . 48.5 t -164.35 134.61 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 42.58 -117.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.48 -41.07 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 181' ' ' VAL . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.623 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.623 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 189' ' ' LEU . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 190' ' ' LEU . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.19 -40.56 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.51 ' O ' ' CE ' ' B' ' 185' ' ' MET . 26.1 pt20 -66.85 -30.37 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.597 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.29 115.41 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.427 ' H ' ' HB ' ' B' ' 181' ' ' VAL . 44.3 t -164.03 134.79 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 41.98 -117.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.6 -40.97 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 181' ' ' VAL . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.547 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 177' ' ' ALA . 23.8 pt-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.568 ' O ' HG11 ' A' ' 181' ' ' VAL . 97.0 mt-30 -64.14 -36.76 85.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.701 ' O ' ' O ' ' A' ' 178' ' ' SER . . . -55.67 -51.91 65.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.701 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 42.85 171.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 110.763 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.496 ' CD ' ' H ' ' A' ' 179' ' ' GLN . 3.0 mp0 -80.35 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.95 -42.65 99.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 176' ' ' GLN . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.47 -42.78 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.559 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' B' ' 178' ' ' SER . 6.3 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.18 -41.39 99.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.63 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -88.62 -62.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.63 ' O ' ' O ' ' B' ' 177' ' ' ALA . 0.0 OUTLIER 45.62 170.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 110.675 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.481 ' CD ' ' H ' ' B' ' 179' ' ' GLN . 2.9 mp0 -80.23 -55.5 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.15 -43.38 95.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 181' ' ' VAL . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.538 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.538 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 51.63 80.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -104.07 -137.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 181' ' ' VAL . 10.8 t -158.69 -132.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 40.89 -106.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.46 -41.6 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' SER . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.758 ' CD1' HG21 ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.758 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 56.5 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.57 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 59.4 mp0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -76.8 140.27 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.612 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -107.18 -139.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.409 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 181' ' ' VAL . 9.0 t -157.87 -132.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 40.99 -107.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' B' ' 178' ' ' SER . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.74 ' CD1' HG21 ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.445 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.74 HG21 ' CD1' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 59.2 mp0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -151.98 159.85 43.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.37 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.92 78.19 1.73 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.679 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.537 ' OG ' HG23 ' A' ' 181' ' ' VAL . 82.6 p -72.8 164.0 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -62.27 -42.17 99.1 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.436 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -62.43 -42.19 99.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' B' ' 181' ' ' VAL . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 186' ' ' THR . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.512 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.648 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.648 ' N ' HG23 ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.35 -41.48 98.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.369 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -74.7 153.54 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.27 82.12 1.88 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.456 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.521 ' OG ' HG23 ' B' ' 181' ' ' VAL . 82.5 p -72.92 164.3 26.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.78 -42.08 99.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -61.96 -42.55 99.25 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 181' ' ' VAL . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.46 ' O ' HG22 ' B' ' 186' ' ' THR . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.68 HG23 ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.68 ' N ' HG23 ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 177' ' ' ALA . 82.9 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -91.0 1.1 57.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -52.66 138.65 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 82.01 134.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.562 -179.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.52 -38.4 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.34 -45.05 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.595 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -62.97 -40.44 97.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.581 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 57.1 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.16 -1.61 6.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -49.6 136.3 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 82.26 133.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.74 -39.03 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.52 -45.44 88.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.445 HG11 ' O ' ' B' ' 175' ' ' GLU . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 177' ' ' ALA . 77.3 mm-40 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 46.8 tt0 57.89 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 176' ' ' GLN . . . 72.66 -157.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 30.5 t -166.45 174.62 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 180' ' ' GLU . 10.9 tp60 59.87 -145.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.44 ' OE1' HG21 ' B' ' 181' ' ' VAL . 14.8 tm-20 -60.72 -37.06 80.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' B' ' 181' ' ' VAL . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.507 ' HB3' ' HZ3' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.417 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 30.5 p30 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.54 ' O ' ' SD ' ' B' ' 185' ' ' MET . 24.8 pt-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' B' ' 177' ' ' ALA . 72.6 tp60 -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' B' ' 176' ' ' GLN . . . 68.47 -158.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 32.5 t -165.92 175.67 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' B' ' 180' ' ' GLU . 9.3 tp60 58.53 -146.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 181' ' ' VAL . 15.3 tm-20 -59.58 -37.57 78.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 181' ' ' VAL . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.549 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.54 ' SD ' ' O ' ' B' ' 175' ' ' GLU . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 177' ' ' ALA . 73.0 tp60 -148.61 136.75 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 176' ' ' GLN . . . -58.61 -126.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 177' ' ' ALA . 4.5 m 56.32 117.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.443 ' CD ' ' N ' ' A' ' 179' ' ' GLN . 19.7 mp0 -62.41 -40.61 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 181' ' ' VAL . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.408 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -62.27 -42.11 99.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.7 t30 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.551 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 177' ' ' ALA . 72.3 tp60 -60.92 -38.26 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -58.47 -124.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.478 ' O ' ' O ' ' B' ' 177' ' ' ALA . 4.1 m 55.74 116.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.423 ' CD ' ' N ' ' B' ' 179' ' ' GLN . 21.7 mp0 -62.3 -41.45 98.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.586 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.71 -45.9 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 181' ' ' VAL . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.42 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' N ' ' SD ' ' A' ' 185' ' ' MET . 19.9 pt-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.679 ' NE2' ' CD1' ' B' ' 184' ' ' TRP . 16.9 mp0 -115.92 169.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.659 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.48 79.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 68.8 m -44.74 118.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.43 -38.43 91.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.95 -42.83 90.76 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.482 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.468 HG11 ' OE1' ' A' ' 176' ' ' GLN . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.569 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 175' ' ' GLU . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.641 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.641 ' N ' HG23 ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.569 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -41.25 97.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.546 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.405 ' NE2' HG21 ' B' ' 181' ' ' VAL . 12.5 pt20 -155.33 179.1 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.62 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 57.5 m -40.77 116.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.71 -38.79 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -43.59 89.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 181' ' ' VAL . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 182' ' ' LYS . . . . . 0.425 ' O ' HG22 ' B' ' 186' ' ' THR . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.679 ' CD1' ' NE2' ' A' ' 176' ' ' GLN . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.666 HG23 ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.666 ' N ' HG23 ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -83.58 128.46 34.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.7 146.76 26.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 36.8 t -150.55 108.97 3.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.567 ' C ' ' O ' ' A' ' 178' ' ' SER . 49.9 tt0 25.25 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.6 mt-10 -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.548 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.68 -40.45 95.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -135.29 145.28 47.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.577 ' O ' ' N ' ' B' ' 181' ' ' VAL . 46.9 t -150.77 108.89 3.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' B' ' 178' ' ' SER . 49.5 tt0 25.83 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.735 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' B' ' 178' ' ' SER . 98.6 mt-10 -56.13 -49.48 73.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' B' ' 178' ' ' SER . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.5 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.404 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 15.6 m120 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -99.98 23.13 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -57.93 144.05 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.56 ' OG ' HG23 ' A' ' 181' ' ' VAL . 1.7 p 81.7 130.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.84 -36.85 85.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -58.68 -44.88 90.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' B' ' 181' ' ' VAL . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.409 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.04 -44.1 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.481 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.462 ' OE1' ' SD ' ' B' ' 185' ' ' MET . 3.5 tp-100 -151.71 30.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -89.78 148.31 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.559 ' HG ' ' HB ' ' B' ' 181' ' ' VAL . 1.8 p 81.55 132.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.82 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.59 -44.89 85.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.457 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 181' ' ' VAL . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.487 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.462 ' SD ' ' OE1' ' B' ' 176' ' ' GLN . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.487 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.5 134.11 52.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.92 129.7 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 43.0 t -154.18 111.71 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.555 ' C ' ' O ' ' A' ' 178' ' ' SER . 66.5 tt0 26.61 -93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.8 mt-10 -57.22 -47.82 80.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.13 -41.01 97.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 -179.651 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.512 ' O ' ' CE ' ' B' ' 185' ' ' MET . 28.2 mm100 -77.39 144.13 38.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.46 130.59 24.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.573 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 t -154.07 111.0 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.552 ' C ' ' O ' ' B' ' 178' ' ' SER . 66.4 tt0 26.88 -94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -56.12 -48.02 77.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.636 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.573 ' N ' ' O ' ' B' ' 178' ' ' SER . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.512 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 189' ' ' LEU . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 57.7 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -89.19 146.84 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 178' ' ' SER . . . 47.37 58.74 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 181' ' ' VAL . 4.8 m -49.79 -103.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' SER . 84.4 mt-30 35.49 -105.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER -60.44 -42.25 95.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 -178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 181' ' ' VAL . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.528 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.528 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.651 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 55.4 mp0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -154.61 153.63 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 178' ' ' SER . . . 42.18 55.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.608 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.52 ' O ' ' N ' ' B' ' 181' ' ' VAL . 6.1 m -47.66 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 178' ' ' SER . 84.8 mt-30 35.55 -106.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER -60.25 -42.17 94.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 -178.747 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 181' ' ' VAL . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.422 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' N ' ' HE1' ' B' ' 184' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -63.61 -40.67 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 47.6 93.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 179' ' ' GLN . 36.6 t -145.4 122.95 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.623 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 178' ' ' SER . 97.9 mm-40 37.73 -111.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.649 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.73 -44.88 77.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 178' ' ' SER . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.532 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 189' ' ' LEU . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.39 -44.92 95.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -136.71 149.19 47.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 46.37 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 181' ' ' VAL . 40.5 t -148.21 122.56 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 178' ' ' SER . 98.2 mm-40 38.17 -111.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.739 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.73 -44.88 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.665 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 178' ' ' SER . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.518 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.415 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.518 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 17.0 pm0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -100.18 129.33 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.607 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 50.37 -165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 181' ' ' VAL . 13.8 p -169.64 -116.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 178' ' ' SER . 27.8 mm100 35.0 -103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.755 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.76 -42.05 96.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 178' ' ' SER . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.536 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 191' ' ' VAL . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.536 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 187' ' ' GLU . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? -70.28 -23.36 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 189' ' ' LEU . 57.0 t-20 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.514 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -77.29 148.0 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 55.04 -164.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.565 ' O ' ' N ' ' B' ' 181' ' ' VAL . 12.6 p -170.91 -115.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' B' ' 178' ' ' SER . 27.6 mm100 34.67 -103.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.99 -41.95 97.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' B' ' 178' ' ' SER . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.514 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 191' ' ' VAL . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 191' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 187' ' ' GLU . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.587 ' C ' ' H ' ' A' ' 177' ' ' ALA . 81.9 tt0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.522 ' O ' ' CE ' ' A' ' 185' ' ' MET . 74.8 mt-30 66.91 -34.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.587 ' H ' ' C ' ' A' ' 175' ' ' GLU . . . -119.28 124.09 45.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.567 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 181' ' ' VAL . 61.3 m -152.85 114.8 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 178' ' ' SER . 78.5 mt-30 33.44 -103.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.7 -45.17 81.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' B' ' 181' ' ' VAL . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.58 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.58 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 189' ' ' LEU . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.07 -41.69 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 20.3 m120 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.533 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.52 ' HG3' ' H ' ' B' ' 177' ' ' ALA . 21.9 pt-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.454 ' O ' ' CE ' ' B' ' 185' ' ' MET . 16.2 pt20 -62.87 -29.96 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.52 ' H ' ' HG3' ' B' ' 175' ' ' GLU . . . -118.29 119.96 36.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.449 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 181' ' ' VAL . 68.3 m -147.84 115.8 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.687 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 179' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 178' ' ' SER . 78.9 mt-30 32.72 -103.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.24 -45.87 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' A' ' 181' ' ' VAL . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.585 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.454 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.585 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 189' ' ' LEU . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 59.6 mp0 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 89.3 mm-40 -88.0 -1.39 57.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . 65.49 -139.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.542 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 77.5 126.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -63.98 -38.57 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.61 -44.39 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' B' ' 181' ' ' VAL . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.79 -41.67 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.535 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 175' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' B' ' 177' ' ' ALA . 86.1 tt0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' B' ' 177' ' ' ALA . 45.9 tt0 -63.13 -37.23 86.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 177' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 176' ' ' GLN . . . 82.3 -143.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 81.1 126.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.468 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -62.94 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.64 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 181' ' ' VAL . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.551 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.412 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.551 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -60.69 -19.04 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.525 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -150.97 155.78 39.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 181' ' ' VAL . 29.8 p -114.13 -119.69 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 40.94 -109.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.09 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.552 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 178' ' ' SER . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.582 ' ND2' ' OE2' ' A' ' 187' ' ' GLU . 16.3 t-20 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' TRP . . . . . 0.738 ' CD1' HG21 ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' MET . . . . . 0.447 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLU . . . . . 0.582 ' OE2' ' ND2' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.738 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.77 -41.26 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.554 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.57 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.58 44.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 p -113.41 -120.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 40.88 -109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -60.36 -42.44 95.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 178' ' ' SER . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 183' ' ' ASN . . . . . 0.581 ' ND2' ' OE2' ' B' ' 187' ' ' GLU . 15.9 t-20 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.731 ' CD1' HG21 ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 185' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 187' ' ' GLU . . . . . 0.581 ' OE2' ' ND2' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 188' ' ' THR . . . . . 0.731 HG21 ' CD1' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 189' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.566 HG22 HG22 ' B' ' 181' ' ' VAL . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.566 HG22 HG22 ' A' ' 181' ' ' VAL . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.506 HG22 HG22 ' B' ' 181' ' ' VAL . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.56 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.56 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 181' ' ' VAL . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.562 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.416 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.562 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.793 0.33 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' B' ' 181' ' ' VAL . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.721 ' CD1' HG21 ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.429 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.721 HG21 ' CD1' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.768 0.318 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' A' ' 181' ' ' VAL . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.718 ' CD1' HG21 ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.718 HG21 ' CD1' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 191' ' ' VAL . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.767 0.317 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 181' ' ' VAL . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.623 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.623 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 189' ' ' LEU . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.549 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 181' ' ' VAL . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.547 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.233 0.219 0 CA-C-O 120.676 0.274 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' B' ' 181' ' ' VAL . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 181' ' ' VAL . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.538 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.538 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.731 0.3 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.428 HG22 HG22 ' B' ' 181' ' ' VAL . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.758 ' CD1' HG21 ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.758 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.713 0.292 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.428 HG22 HG22 ' A' ' 181' ' ' VAL . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.74 ' CD1' HG21 ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.445 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.74 HG21 ' CD1' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 180' ' ' GLU . 56.9 mp0 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 120.882 0.372 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' B' ' 181' ' ' VAL . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 186' ' ' THR . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.512 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.648 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.648 ' N ' HG23 ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 . . . . . 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' B' ' 180' ' ' GLU . 58.1 mp0 . . . . . 0 C--O 1.238 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 181' ' ' VAL . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . 0.46 ' O ' HG22 ' B' ' 186' ' ' THR . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.68 HG23 ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . 0.68 ' N ' HG23 ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.768 0.318 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.595 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.724 0.297 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.44 ' OE1' HG21 ' B' ' 181' ' ' VAL . 14.8 tm-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.754 0.311 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' B' ' 181' ' ' VAL . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . 0.507 ' HZ3' ' HB3' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.417 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 181' ' ' VAL . 15.3 tm-20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.778 0.323 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 181' ' ' VAL . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . 0.474 ' HB3' ' HZ3' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.549 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.426 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.83 0.348 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 181' ' ' VAL . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.408 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.86 0.362 . . . . 0.0 110.599 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 181' ' ' VAL . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.42 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.641 0.258 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' B' ' 181' ' ' VAL . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.569 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.641 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.641 ' N ' HG23 ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.569 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.575 0.226 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 181' ' ' VAL . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . 0.425 ' O ' HG22 ' B' ' 186' ' ' THR . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.566 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.666 HG23 ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . 0.666 ' N ' HG23 ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.691 0.281 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.512 HG22 HG22 ' B' ' 181' ' ' VAL . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.789 0.328 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.512 HG22 HG22 ' A' ' 181' ' ' VAL . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.5 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.404 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.407 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 62.6 m-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.667 0.27 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' B' ' 181' ' ' VAL . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.409 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.611 0.243 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 181' ' ' VAL . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.487 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.407 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.487 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.723 0.297 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.765 0.317 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 189' ' ' LEU . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.458 ' CD ' ' N ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 181' ' ' VAL . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.528 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.528 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.799 0.333 . . . . 0.0 110.526 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 181' ' ' VAL . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.422 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.76 0.314 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.532 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 189' ' ' LEU . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.518 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.415 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.518 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.781 0.324 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.406 HG22 HG22 ' B' ' 181' ' ' VAL . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.536 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 191' ' ' VAL . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.536 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 187' ' ' GLU . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.758 0.313 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 181' ' ' VAL . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.514 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 191' ' ' VAL . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 187' ' ' GLU . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' B' ' 181' ' ' VAL . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.58 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.58 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 189' ' ' LEU . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.676 0.274 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' A' ' 181' ' ' VAL . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.585 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.585 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 73.2 m-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.691 0.281 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' B' ' 181' ' ' VAL . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.684 0.278 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 181' ' ' VAL . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.551 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.412 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.551 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.722 0.296 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' A' ' 187' ' ' GLU . 49.1 t30 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' TRP . . . . . 0.738 ' CD1' HG21 ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' MET . . . . . 0.447 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' THR . . . . . 0.738 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.682 0.277 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 181' ' ' VAL . . . . . . . . . . . . . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 183' ' ' ASN . . . . . 0.431 ' OD1' ' OE2' ' B' ' 187' ' ' GLU . 50.2 t30 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 184' ' ' TRP . . . . . 0.731 ' CD1' HG21 ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 185' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 187' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 188' ' ' THR . . . . . 0.731 HG21 ' CD1' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 189' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 185' ' ' MET . 19.2 tm0? -61.8 -35.71 79.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -155.78 144.28 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.514 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.582 ' O ' ' N ' ' A' ' 181' ' ' VAL . 44.5 t -156.01 111.18 2.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.596 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 178' ' ' SER . 63.6 tt0 26.28 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 178' ' ' SER . 88.2 tt0 -54.97 -49.28 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.582 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.1 t -61.89 -40.59 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.74 -42.65 99.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.86 -49.36 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.564 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.9 t90 -69.46 -47.43 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 176' ' ' GLN . 35.4 ttm -54.66 -46.59 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 -177.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 67.4 p -74.16 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.571 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.14 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.564 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 34.6 m -63.03 -51.53 66.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.519 -176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 86.1 mt -72.27 -35.1 68.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.585 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.9 tp -57.4 -46.79 83.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.596 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.66 -42.54 92.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -60.83 -42.88 98.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.631 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 33.9 p30 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.565 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.498 ' O ' ' SD ' ' B' ' 185' ' ' MET . 62.2 tt0 -147.62 137.35 22.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.18 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.587 ' O ' ' N ' ' B' ' 181' ' ' VAL . 38.7 t -156.77 109.82 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' B' ' 178' ' ' SER . 63.7 tt0 26.34 -93.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.59 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.6 tt0 -54.72 -49.56 70.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.513 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' B' ' 178' ' ' SER . 88.8 t -61.49 -40.87 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.516 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.35 -42.59 99.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.23 -48.76 80.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 33.8 t90 -70.27 -46.38 64.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' B' ' 176' ' ' GLN . 33.5 ttm -54.94 -46.76 75.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.6 p -74.39 -59.32 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.564 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.11 -49.39 77.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.547 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 30.3 m -63.04 -51.72 65.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.451 -176.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.86 -34.8 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.8 tp -57.64 -46.96 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.71 -42.85 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.577 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.54 -42.55 96.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 33.4 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -148.99 -77.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.555 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -80.89 -13.84 58.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.546 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.557 ' O ' ' N ' ' A' ' 181' ' ' VAL . 16.9 t 56.16 -135.39 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 178' ' ' SER . 11.1 tp-100 36.36 -103.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.622 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.71 -42.0 96.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.509 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 178' ' ' SER . 66.7 t -60.86 -43.39 95.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.412 179.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.04 -40.0 94.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.451 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -58.22 -49.82 75.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.568 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.56 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -70.33 -46.95 63.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.688 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.8 ttm -55.65 -48.38 75.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.0 m -74.66 -51.58 14.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.836 -178.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -62.72 -51.51 66.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.56 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 50.3 m -63.2 -50.78 68.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.794 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.51 -36.16 76.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.691 -177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.8 tt -57.23 -45.58 83.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.63 -46.42 96.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.464 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -62.75 -41.53 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 63.1 t30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.599 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' B' ' 177' ' ' ALA . 12.5 tm-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 51.63 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.63 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.518 ' N ' ' OE1' ' B' ' 175' ' ' GLU . . . -90.86 -10.59 42.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.528 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.562 ' O ' ' N ' ' B' ' 181' ' ' VAL . 18.1 t 56.63 -135.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.56 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' B' ' 178' ' ' SER . 11.1 tp-100 36.04 -103.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.652 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.34 -42.27 95.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.537 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.562 ' N ' ' O ' ' B' ' 178' ' ' SER . 66.7 t -60.77 -43.18 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.396 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -62.36 -39.56 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -58.81 -49.17 78.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.578 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.562 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.7 t90 -70.95 -47.22 60.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.416 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 49.7 ttm -54.95 -49.29 71.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 -178.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 94.2 m -73.71 -52.24 13.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.821 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.05 -51.56 67.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.562 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 45.4 m -63.41 -51.1 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.776 -176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.68 -36.57 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 4.0 tt -56.93 -45.68 82.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.475 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.88 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.453 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -63.41 -39.42 94.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.468 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.3 t30 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.505 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -133.23 -66.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.609 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -75.03 -15.21 60.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.599 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 180' ' ' GLU . 8.1 t 58.43 -151.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 178' ' ' SER . 65.6 tt0 32.93 -90.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.563 ' N ' ' O ' ' A' ' 178' ' ' SER . 96.2 mt-10 -53.18 -66.5 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.655 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' B' ' 181' ' ' VAL . 12.1 m -56.7 -32.69 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.97 -41.49 95.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.459 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.11 -48.25 82.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.721 ' CD1' HG21 ' A' ' 188' ' ' THR . 29.5 t90 -69.9 -46.64 64.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.429 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.8 ttm -56.02 -49.34 73.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.661 -177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 190' ' ' LEU . 41.6 p -73.81 -55.94 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.91 -57.35 10.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.721 HG21 ' CD1' ' A' ' 184' ' ' TRP . 67.3 p -62.76 -49.66 74.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.077 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 185' ' ' MET . 83.1 mt -71.5 -28.47 63.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 186' ' ' THR . 37.7 tp -59.69 -49.4 77.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 25.8 m -72.1 -32.64 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.542 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.6 -40.92 96.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 50.3 p30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.523 179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.7 mp0 . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -97.31 -80.82 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.649 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -77.86 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.581 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.579 ' N ' ' CG2' ' B' ' 181' ' ' VAL . 8.3 t 58.92 -151.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.496 ' C ' ' O ' ' B' ' 178' ' ' SER . 65.1 tt0 32.63 -90.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -53.12 -66.64 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.688 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.714 HG12 HG12 ' A' ' 181' ' ' VAL . 12.0 m -56.71 -32.05 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.35 -42.36 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -60.24 -48.71 80.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.718 ' CD1' HG21 ' B' ' 188' ' ' THR . 32.7 t90 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 51.4 ttm -55.41 -50.18 70.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.646 -177.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.548 ' O ' ' N ' ' B' ' 190' ' ' LEU . 43.3 p -73.57 -55.94 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.057 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -52.18 -58.51 6.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.718 HG21 ' CD1' ' B' ' 184' ' ' TRP . 71.5 p -62.16 -49.77 74.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.151 -176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' B' ' 185' ' ' MET . 85.8 mt -71.27 -28.35 64.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.628 -177.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' B' ' 186' ' ' THR . 36.0 tp -59.92 -49.26 78.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.593 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . 0.407 ' H ' HG22 ' B' ' 191' ' ' VAL . 24.4 m -72.29 -32.87 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.13 -40.97 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.472 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 50.2 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.548 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.483 ' O ' ' CE ' ' A' ' 185' ' ' MET . 18.2 pt20 -64.66 -26.32 68.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.34 116.77 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.533 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.437 ' H ' ' HB ' ' A' ' 181' ' ' VAL . 48.5 t -164.35 134.61 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.544 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 42.58 -117.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.501 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -60.48 -41.07 93.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 181' ' ' VAL . 61.8 t -58.68 -44.49 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.543 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -64.14 -39.76 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -58.65 -48.94 79.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.569 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.623 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 36.8 t90 -69.54 -49.9 50.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 36.6 ttm -54.07 -49.43 69.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.591 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 65.3 p -70.44 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.588 -178.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.78 -53.5 57.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.623 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 12.5 m -56.42 -50.67 70.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 -176.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 189' ' ' LEU . 95.3 mt -69.25 -28.34 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.589 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 190' ' ' LEU . 0.2 OUTLIER -55.94 -54.06 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.068 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 16.0 m -68.38 -32.73 56.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -61.19 -40.56 94.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.546 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.51 ' O ' ' CE ' ' B' ' 185' ' ' MET . 26.1 pt20 -66.85 -30.37 70.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.597 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -137.29 115.41 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.427 ' H ' ' HB ' ' B' ' 181' ' ' VAL . 44.3 t -164.03 134.79 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 41.98 -117.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -60.6 -40.97 93.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 181' ' ' VAL . 59.7 t -58.64 -44.67 90.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.575 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 66.4 tttp -63.87 -41.09 97.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.562 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -57.35 -48.38 79.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.547 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 36.9 t90 -70.37 -48.59 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.585 179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.51 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 36.2 ttm -55.28 -48.99 73.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 74.8 p -71.13 -60.66 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.96 -52.32 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.547 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 11.7 m -57.12 -50.79 71.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.607 -177.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.66 -27.75 65.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.549 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -56.4 -54.18 48.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 16.3 m -68.16 -33.31 60.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.603 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.25 -39.95 92.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.605 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 177' ' ' ALA . 23.8 pt-20 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.568 ' O ' HG11 ' A' ' 181' ' ' VAL . 97.0 mt-30 -64.14 -36.76 85.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.559 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.701 ' O ' ' O ' ' A' ' 178' ' ' SER . . . -55.67 -51.91 65.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.449 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.701 ' O ' ' O ' ' A' ' 177' ' ' ALA . 0.0 OUTLIER 42.85 171.08 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.13 0.49 . . . . 0.0 110.763 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.496 ' CD ' ' H ' ' A' ' 179' ' ' GLN . 3.0 mp0 -80.35 -56.26 4.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -62.95 -42.65 99.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.445 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 176' ' ' GLN . 60.5 t -62.69 -45.2 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.389 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -59.8 -40.26 87.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.208 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -58.04 -49.49 76.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 33.8 t90 -70.23 -46.91 63.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.893 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.58 -45.33 81.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.613 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 53.6 p -73.5 -59.58 2.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.46 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -59.42 -49.07 79.23 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.611 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 20.0 m -61.37 -52.21 65.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.312 -177.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.18 -33.3 69.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.658 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 186' ' ' THR . 45.2 tp -56.6 -47.39 79.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.211 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.72 -43.2 90.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.279 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -60.47 -42.78 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 31.5 p30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.559 -179.825 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.434 ' O ' ' OG ' ' B' ' 178' ' ' SER . 6.3 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.18 -41.39 99.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.617 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.63 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -88.62 -62.45 1.48 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.511 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.63 ' O ' ' O ' ' B' ' 177' ' ' ALA . 0.0 OUTLIER 45.62 170.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.982 0.42 . . . . 0.0 110.675 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.481 ' CD ' ' H ' ' B' ' 179' ' ' GLN . 2.9 mp0 -80.23 -55.5 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.15 -43.38 95.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.515 HG22 HG22 ' A' ' 181' ' ' VAL . 53.9 t -62.33 -45.06 99.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -60.09 -39.8 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.326 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -58.43 -49.85 75.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.599 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.538 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 35.1 t90 -69.71 -47.07 64.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.741 178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.2 ttm -56.04 -46.09 78.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.709 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 62.4 p -73.57 -58.83 3.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.556 -178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -59.67 -49.04 79.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.447 -177.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.538 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 19.9 m -61.43 -52.38 64.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.333 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.01 -32.93 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.708 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' B' ' 186' ' ' THR . 44.7 tp -56.93 -47.29 80.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.08 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.7 t -66.57 -43.41 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.01 -41.5 96.65 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 32.3 p30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.485 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 51.63 80.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -104.07 -137.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 181' ' ' VAL . 10.8 t -158.69 -132.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 40.89 -106.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.46 -41.6 97.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 178' ' ' SER . 65.4 t -62.05 -41.65 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.428 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -65.22 -39.16 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.52 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.45 -48.38 81.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.758 ' CD1' HG21 ' A' ' 188' ' ' THR . 27.5 t90 -69.99 -43.87 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.6 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.442 ' O ' ' HB2' ' A' ' 189' ' ' LEU . 49.4 ttm -56.15 -50.98 69.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.732 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.543 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 72.2 p -75.14 -52.48 10.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.044 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -53.54 -56.24 18.73 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.056 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.758 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.7 p -66.64 -50.91 61.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 185' ' ' MET . 87.8 mt -67.01 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.563 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.543 ' CB ' ' O ' ' A' ' 186' ' ' THR . 46.8 tp -57.76 -47.98 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.359 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.27 -41.36 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.445 179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.02 -42.18 93.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 56.5 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.57 179.693 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.494 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 59.4 mp0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -76.8 140.27 40.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.612 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -107.18 -139.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.409 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 181' ' ' VAL . 9.0 t -157.87 -132.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.582 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 40.99 -107.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.526 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -42.53 98.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' B' ' 178' ' ' SER . 58.0 t -61.03 -42.79 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.37 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.88 -39.46 94.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -59.14 -48.33 82.0 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.542 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.74 ' CD1' HG21 ' B' ' 188' ' ' THR . 28.2 t90 -70.1 -43.89 70.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.667 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.445 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 48.1 ttm -55.64 -51.63 66.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.53 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 68.4 p -75.09 -53.77 8.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.988 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.88 -58.09 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.74 HG21 ' CD1' ' B' ' 184' ' ' TRP . 81.3 p -65.44 -51.42 60.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' B' ' 185' ' ' MET . 86.9 mt -66.67 -33.49 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 186' ' ' THR . 45.3 tp -58.05 -47.82 81.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.327 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.8 -40.58 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.398 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -60.88 -41.41 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.583 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.414 ' C ' ' OD1' ' B' ' 193' ' ' ASN . 56.2 p30 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.539 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 59.2 mp0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -151.98 159.85 43.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.37 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -125.92 78.19 1.73 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.679 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.537 ' OG ' HG23 ' A' ' 181' ' ' VAL . 82.6 p -72.8 164.0 27.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.591 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -62.27 -42.17 99.1 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.436 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 56.9 mp0 -62.43 -42.19 99.27 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.439 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' B' ' 181' ' ' VAL . 58.6 t -61.31 -42.49 93.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.074 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 186' ' ' THR . 88.5 tttt -61.18 -40.66 94.73 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.153 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.513 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.512 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 41.1 t90 -68.82 -45.18 71.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.407 ' O ' ' CG ' ' A' ' 189' ' ' LEU . 30.8 ttm -55.73 -49.7 72.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.665 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.648 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.2 t -75.25 -50.21 16.87 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.791 -0.363 . . . . 0.0 111.523 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.648 ' N ' HG23 ' A' ' 186' ' ' THR . 88.0 tt0 -61.2 -52.37 65.08 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.757 -177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.9 m -63.39 -48.96 75.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.358 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 185' ' ' MET . 92.8 mt -67.05 -35.04 79.0 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.916 -179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.427 ' CG ' ' O ' ' A' ' 186' ' ' THR . 10.5 mt -55.75 -48.26 75.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.53 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.43 -43.92 98.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.133 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.35 -41.48 98.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.282 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.369 -179.547 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -74.7 153.54 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.465 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.27 82.12 1.88 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.456 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.521 ' OG ' HG23 ' B' ' 181' ' ' VAL . 82.5 p -72.92 164.3 26.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.642 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -62.78 -42.08 99.53 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.428 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -61.96 -42.55 99.25 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.424 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 181' ' ' VAL . 60.0 t -61.25 -42.5 93.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.049 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.46 ' O ' HG22 ' B' ' 186' ' ' THR . 88.4 tttt -61.06 -40.29 93.09 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.19 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -58.83 -48.64 80.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.522 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 40.3 t90 -69.22 -45.28 70.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.417 ' O ' ' CG ' ' B' ' 189' ' ' LEU . 29.7 ttm -55.49 -49.85 71.45 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.741 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.68 HG23 ' N ' ' B' ' 187' ' ' GLU . 11.7 t -74.85 -51.09 14.85 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.529 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.68 ' N ' HG23 ' B' ' 186' ' ' THR . 88.3 tt0 -60.43 -52.51 64.9 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.641 -177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.2 m -62.95 -49.31 75.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.472 -178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.417 ' CG ' ' O ' ' B' ' 185' ' ' MET . 93.1 mt -66.91 -35.09 79.22 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.415 ' CG ' ' O ' ' B' ' 186' ' ' THR . 10.8 mt -55.81 -48.07 76.06 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.534 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.32 -44.29 99.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.112 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -62.23 -41.86 98.78 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.4 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.435 -179.706 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 177' ' ' ALA . 82.9 tt0 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -91.0 1.1 57.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -52.66 138.65 28.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 82.01 134.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.562 -179.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.52 -38.4 90.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.34 -45.05 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.536 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.57 -43.92 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.03 -39.04 93.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -59.29 -50.06 75.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.595 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 35.4 t90 -71.39 -50.53 31.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 53.5 ttm -55.58 -47.79 75.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.582 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 190' ' ' LEU . 92.7 m -68.58 -58.73 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.701 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -54.06 35.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.695 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.595 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 17.1 m -52.77 -51.2 61.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.523 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.35 -28.0 64.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.597 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.564 ' HB2' ' O ' ' A' ' 186' ' ' THR . 0.2 OUTLIER -54.3 -52.38 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.526 179.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 14.6 m -70.58 -38.3 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -62.97 -40.44 97.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.558 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.581 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 57.1 mp0 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -68.16 -1.61 6.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.542 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -49.6 136.3 17.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 82.26 133.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.74 -39.03 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.591 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -58.52 -45.44 88.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.544 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.445 HG11 ' O ' ' B' ' 175' ' ' GLU . 69.0 t -62.96 -44.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.3 -39.1 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.508 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -58.81 -49.78 76.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.554 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.8 t90 -72.75 -50.22 25.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 52.9 ttm -55.12 -48.22 73.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.573 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' B' ' 190' ' ' LEU . 96.3 m -68.79 -59.98 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.681 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -54.3 39.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.678 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.554 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.3 m -53.13 -51.16 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -177.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.7 mt -70.12 -27.11 64.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.578 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' B' ' 186' ' ' THR . 0.2 OUTLIER -55.46 -52.13 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.496 179.251 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 13.8 m -70.81 -38.85 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.584 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -62.24 -40.76 97.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.532 179.815 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 177' ' ' ALA . 77.3 mm-40 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 46.8 tt0 57.89 -76.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.553 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 176' ' ' GLN . . . 72.66 -157.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.54 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 30.5 t -166.45 174.62 8.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.607 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 180' ' ' GLU . 10.9 tp60 59.87 -145.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.44 ' OE1' HG21 ' B' ' 181' ' ' VAL . 14.8 tm-20 -60.72 -37.06 80.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' B' ' 181' ' ' VAL . 92.2 t -53.35 -47.87 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.175 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.507 ' HB3' ' HZ3' ' A' ' 182' ' ' LYS . 0.0 OUTLIER -64.54 -40.91 96.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.891 0.377 . . . . 0.0 110.609 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.44 -48.15 81.65 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.399 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -68.46 -46.37 69.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.831 0.348 . . . . 0.0 110.632 178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.417 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 49.7 ttm -56.24 -46.72 79.46 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.455 -178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.502 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.5 m -75.66 -56.71 4.43 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.836 0.351 . . . . 0.0 111.405 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.21 -49.16 78.91 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.242 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 13.8 m -63.57 -51.39 65.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.204 -177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 87.7 mt -71.04 -35.5 71.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.709 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 186' ' ' THR . 48.5 tp -56.42 -46.23 80.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -67.45 -42.6 87.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.511 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -61.73 -41.82 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.573 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 30.5 p30 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.917 -1.039 . . . . 0.0 110.471 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.54 ' O ' ' SD ' ' B' ' 185' ' ' MET . 24.8 pt-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.494 ' O ' ' HB3' ' B' ' 177' ' ' ALA . 72.6 tp60 -61.54 -40.5 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.62 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' B' ' 176' ' ' GLN . . . 68.47 -158.93 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.633 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 32.5 t -165.92 175.67 8.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.589 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.401 ' HG3' ' H ' ' B' ' 180' ' ' GLU . 9.3 tp60 58.53 -146.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.789 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.466 ' OE1' HG21 ' A' ' 181' ' ' VAL . 15.3 tm-20 -59.58 -37.57 78.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.69 HG22 HG22 ' A' ' 181' ' ' VAL . 90.8 t -52.29 -47.69 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.226 -179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.474 ' HZ3' ' HB3' ' B' ' 182' ' ' LYS . 0.0 OUTLIER -65.01 -41.02 95.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.955 0.407 . . . . 0.0 110.725 179.185 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -58.53 -48.18 81.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.463 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.549 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -68.34 -45.93 71.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 178.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.54 ' SD ' ' O ' ' B' ' 175' ' ' GLU . 51.9 ttm -56.78 -46.55 81.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.54 -178.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -75.79 -57.0 4.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.374 -179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.71 -49.18 78.53 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.259 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.549 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 10.4 m -63.74 -51.48 64.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 -177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -71.01 -34.42 71.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.745 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.7 tp -57.47 -46.25 83.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.286 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.54 -42.63 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.514 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -61.5 -42.04 98.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.57 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' B' ' 190' ' ' LEU . 30.6 p30 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.519 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.464 ' O ' ' O ' ' A' ' 177' ' ' ALA . 73.0 tp60 -148.61 136.75 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.533 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 176' ' ' GLN . . . -58.61 -126.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.614 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 177' ' ' ALA . 4.5 m 56.32 117.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.562 ' H ' ' NE2' ' A' ' 179' ' ' GLN . 4.4 mp0 -62.41 -40.61 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.564 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.19 -45.24 93.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' B' ' 181' ' ' VAL . 71.7 t -62.99 -43.18 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.513 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -63.01 -39.39 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -59.2 -50.07 75.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.582 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.54 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.2 t90 -69.38 -47.5 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.408 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.2 ttm -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.6 p -73.83 -58.39 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.91 -50.15 75.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.555 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.54 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.5 m -62.03 -52.21 64.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.541 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.1 -32.82 67.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.528 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.496 ' CB ' ' O ' ' A' ' 186' ' ' THR . 3.6 tt -57.07 -46.63 82.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.575 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.6 -44.17 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -62.27 -42.11 99.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.612 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.7 t30 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.551 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.456 ' O ' ' O ' ' B' ' 177' ' ' ALA . 72.3 tp60 -60.92 -38.26 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.563 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' B' ' 178' ' ' SER . . . -58.47 -124.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.577 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.478 ' O ' ' O ' ' B' ' 177' ' ' ALA . 4.1 m 55.74 116.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' B' ' 179' ' ' GLN . 4.3 mp0 -62.3 -41.45 98.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.586 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.71 -45.9 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 181' ' ' VAL . 72.1 t -62.39 -43.76 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.509 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -62.22 -40.58 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.596 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -58.23 -50.08 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -69.36 -47.7 63.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.42 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.8 ttm -54.61 -47.11 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 43.1 p -74.23 -59.61 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.517 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -57.82 -49.78 75.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.592 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.6 m -62.7 -52.63 62.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.518 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 84.9 mt -71.23 -33.13 69.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' B' ' 186' ' ' THR . 3.6 tt -56.63 -46.72 80.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.602 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.05 -43.15 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.543 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -63.46 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.54 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 62.7 t30 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.582 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' N ' ' SD ' ' A' ' 185' ' ' MET . 19.9 pt-20 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.679 ' NE2' ' CD1' ' B' ' 184' ' ' TRP . 16.9 mp0 -115.92 169.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.659 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.48 79.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.5 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 68.8 m -44.74 118.11 1.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -64.43 -38.43 91.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.95 -42.83 90.76 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.482 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.468 HG11 ' OE1' ' A' ' 176' ' ' GLN . 77.1 t -63.5 -44.66 98.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.228 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -62.41 -39.53 93.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.335 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -57.55 -49.24 77.01 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.458 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.569 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.0 t90 -70.85 -43.12 69.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.863 0.364 . . . . 0.0 110.913 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 175' ' ' GLU . 28.9 ttm -55.57 -48.25 75.1 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.079 -177.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.641 HG23 ' N ' ' A' ' 187' ' ' GLU . 11.6 t -76.59 -49.06 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.295 -178.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.641 ' N ' HG23 ' A' ' 186' ' ' THR . 15.9 mm-40 -61.57 -50.4 72.77 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.478 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.569 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 87.5 m -66.09 -49.93 65.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.392 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.14 -38.16 81.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.766 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.8 tp -57.57 -47.21 82.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.232 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.55 -45.18 98.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -41.25 97.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.0 t30 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.546 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.405 ' NE2' HG21 ' B' ' 181' ' ' VAL . 12.5 pt20 -155.33 179.1 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.62 89.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . . . . . . . . . 57.5 m -40.77 116.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.659 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.71 -38.79 92.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.579 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.53 -43.59 89.28 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.429 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 181' ' ' VAL . 75.4 t -62.68 -44.65 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.157 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . 0.425 ' O ' HG22 ' B' ' 186' ' ' THR . 65.4 tttm -62.48 -39.01 92.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.302 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -58.36 -49.37 77.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.463 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.679 ' CD1' ' NE2' ' A' ' 176' ' ' GLN . 32.9 t90 -70.85 -43.38 68.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.952 0.406 . . . . 0.0 111.062 178.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 30.6 ttm -55.39 -47.65 75.53 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.993 -177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.666 HG23 ' N ' ' B' ' 187' ' ' GLU . 12.2 t -77.39 -49.66 14.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.666 ' N ' HG23 ' B' ' 186' ' ' THR . 16.0 mm-40 -61.12 -50.32 73.7 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.416 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.566 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 85.5 m -65.76 -50.47 64.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.358 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.71 -37.67 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.729 -178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.1 tp -58.16 -46.78 85.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.279 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.53 -45.36 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.333 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -63.94 -40.53 96.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.599 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 56.7 t30 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.496 -179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -83.58 128.46 34.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -151.7 146.76 26.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 36.8 t -150.55 108.97 3.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.615 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.567 ' C ' ' O ' ' A' ' 178' ' ' SER . 49.9 tt0 25.25 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.755 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.6 mt-10 -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 82.1 t -59.97 -40.35 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -62.68 -39.94 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.578 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 179' ' ' GLN . 66.5 m-80 -59.49 -49.02 79.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.525 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.8 t90 -70.98 -47.24 59.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.774 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.8 ttm -55.39 -48.15 74.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 95.4 m -74.25 -54.03 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.36 -51.54 69.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.525 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 71.0 m -63.21 -49.14 75.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.692 -176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 83.7 mt -73.03 -28.63 62.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.63 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 186' ' ' THR . 33.9 tp -59.51 -48.84 80.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.543 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.9 -31.12 34.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.562 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -61.3 -41.99 97.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.429 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.548 179.807 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 56.3 mp0 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.68 -40.45 95.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -135.29 145.28 47.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.577 ' O ' ' N ' ' B' ' 181' ' ' VAL . 46.9 t -150.77 108.89 3.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.652 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.549 ' C ' ' O ' ' B' ' 178' ' ' SER . 49.5 tt0 25.83 -91.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.735 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' B' ' 178' ' ' SER . 98.6 mt-10 -56.13 -49.48 73.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.623 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.577 ' N ' ' O ' ' B' ' 178' ' ' SER . 81.5 t -59.68 -40.37 82.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.377 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -62.32 -39.97 94.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.619 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' B' ' 179' ' ' GLN . 66.9 m-80 -59.67 -48.74 80.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.68 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.5 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -70.76 -47.27 60.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.404 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.6 ttm -55.81 -48.17 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -177.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 90.5 m -74.03 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.851 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.38 -52.01 67.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.5 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 80.5 m -61.76 -49.91 74.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.744 -177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.407 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 83.4 mt -73.19 -28.23 62.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.568 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.492 ' CB ' ' O ' ' B' ' 186' ' ' THR . 34.3 tp -59.73 -48.94 79.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 27.0 m -72.68 -31.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.544 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -60.68 -41.03 94.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.463 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 62.6 m-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.527 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -99.98 23.13 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.55 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . -57.93 144.05 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.56 ' OG ' HG23 ' A' ' 181' ' ' VAL . 1.7 p 81.7 130.85 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.84 -36.85 85.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -58.68 -44.88 90.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.43 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' B' ' 181' ' ' VAL . 61.2 t -61.97 -44.86 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.341 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.54 -40.64 97.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.661 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.552 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.4 t90 -67.61 -47.31 70.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.641 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.409 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 51.0 ttm -56.07 -46.87 78.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.494 -178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 38.3 p -74.83 -56.47 4.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.97 -50.13 74.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.552 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 15.8 m -62.87 -52.36 63.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 84.1 mt -69.62 -32.55 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.539 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.74 -47.81 81.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.346 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.56 -45.85 91.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.04 -44.1 97.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.544 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.481 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.462 ' OE1' ' SD ' ' B' ' 185' ' ' MET . 3.5 tp-100 -151.71 30.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.558 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' B' ' 178' ' ' SER . . . -89.78 148.31 23.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.559 ' HG ' ' HB ' ' B' ' 181' ' ' VAL . 1.8 p 81.55 132.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.566 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.82 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.6 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -57.59 -44.89 85.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.457 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.599 HG22 HG22 ' A' ' 181' ' ' VAL . 56.8 t -61.89 -44.23 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.377 178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -63.67 -40.91 98.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -59.05 -49.76 76.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.487 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -68.29 -46.88 69.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.687 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.462 ' SD ' ' OE1' ' B' ' 176' ' ' GLN . 49.2 ttm -55.64 -47.48 76.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.553 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 38.8 p -75.05 -57.62 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.966 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.38 -49.97 75.34 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.487 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 16.6 m -63.24 -52.1 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -177.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 85.9 mt -70.22 -31.91 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' B' ' 186' ' ' THR . 47.1 tp -58.01 -47.53 82.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.422 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 73.8 t -66.04 -44.65 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.458 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -62.22 -43.75 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.537 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.509 179.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -65.5 134.11 52.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.532 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -121.92 129.7 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.586 ' O ' ' N ' ' A' ' 181' ' ' VAL . 43.0 t -154.18 111.71 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.555 ' C ' ' O ' ' A' ' 178' ' ' SER . 66.5 tt0 26.61 -93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 178' ' ' SER . 98.8 mt-10 -57.22 -47.82 80.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.586 ' N ' ' O ' ' A' ' 178' ' ' SER . 70.7 t -60.94 -42.6 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.392 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.91 -39.72 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.588 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -58.78 -48.98 79.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.664 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.581 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.6 t90 -72.25 -46.19 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.741 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.4 ttm -55.87 -46.69 78.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.597 -178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 190' ' ' LEU . 70.3 p -74.42 -59.36 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.991 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -58.36 -49.69 76.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.581 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 14.4 m -62.02 -53.0 61.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -177.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.66 -37.51 82.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 186' ' ' THR . 20.3 mt -56.33 -43.61 79.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.45 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.44 -46.06 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.47 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.13 -41.01 97.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 51.4 t30 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.551 -179.651 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.512 ' O ' ' CE ' ' B' ' 185' ' ' MET . 28.2 mm100 -77.39 144.13 38.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -140.46 130.59 24.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.526 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.573 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 t -154.07 111.0 3.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.571 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.552 ' C ' ' O ' ' B' ' 178' ' ' SER . 66.4 tt0 26.88 -94.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 178' ' ' SER . 97.6 mt-10 -56.12 -48.02 77.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.636 -178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.573 ' N ' ' O ' ' B' ' 178' ' ' SER . 73.1 t -60.61 -42.22 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.335 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -63.94 -40.28 96.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.665 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -58.52 -49.42 77.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.541 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.2 t90 -71.1 -46.86 60.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.512 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 48.4 ttm -55.73 -46.86 77.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.554 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' B' ' 190' ' ' LEU . 71.9 p -74.28 -59.57 2.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.932 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -58.37 -49.8 75.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.541 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 15.1 m -61.74 -52.34 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -177.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' B' ' 189' ' ' LEU . 89.7 mt -68.55 -37.7 80.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.742 -177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.416 ' CG ' ' O ' ' B' ' 186' ' ' THR . 21.3 mt -55.85 -44.1 77.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 78.3 t -65.31 -46.34 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -62.34 -40.68 97.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.506 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 51.0 t30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.497 179.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 57.7 mp0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -89.19 146.84 24.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' A' ' 178' ' ' SER . . . 47.37 58.74 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.553 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 181' ' ' VAL . 4.8 m -49.79 -103.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' A' ' 178' ' ' SER . 25.8 mt-30 35.49 -105.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.458 ' N ' ' CD ' ' A' ' 180' ' ' GLU . 0.8 OUTLIER -60.44 -42.25 95.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 -178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 181' ' ' VAL . 76.4 t -59.2 -45.27 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.538 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.93 -41.92 99.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -56.97 -49.15 76.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.528 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -69.1 -48.0 63.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.528 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.405 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 52.2 ttm -55.08 -47.76 74.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.59 -178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 93.2 m -75.2 -55.02 6.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.51 -50.03 75.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.546 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.528 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 26.0 m -63.67 -51.78 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 89.5 mt -70.21 -36.92 74.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.57 -177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.4 tp -55.51 -47.69 75.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 79.7 t -64.95 -43.2 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.567 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.94 -40.67 96.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.521 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 64.0 t30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.651 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.497 ' N ' ' OE1' ' B' ' 175' ' ' GLU . 55.4 mp0 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -154.61 153.63 31.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.501 ' O ' ' O ' ' B' ' 178' ' ' SER . . . 42.18 55.36 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.608 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.52 ' O ' ' N ' ' B' ' 181' ' ' VAL . 6.1 m -47.66 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 178' ' ' SER . 25.9 mt-30 35.55 -106.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . 0.463 ' CD ' ' N ' ' B' ' 180' ' ' GLU . 0.8 OUTLIER -60.25 -42.17 94.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.526 -178.747 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 181' ' ' VAL . 79.4 t -59.24 -45.58 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.13 -41.41 99.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.593 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -56.99 -49.53 75.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.527 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 27.2 t90 -69.5 -46.38 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.422 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.4 ttm -55.75 -47.69 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.3 m -75.75 -55.34 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.06 -49.45 77.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.527 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 24.1 m -64.68 -50.87 65.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.556 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.18 -35.12 71.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.5 tp -57.37 -47.51 81.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.3 -42.55 94.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -62.27 -41.48 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.603 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 63.2 t30 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.565 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.511 ' N ' ' HE1' ' B' ' 184' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -63.61 -40.67 97.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.633 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 47.6 93.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.517 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 179' ' ' GLN . 36.6 t -145.4 122.95 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.623 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 178' ' ' SER . 97.9 mm-40 37.73 -111.83 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.649 178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.73 -44.88 77.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.423 ' HB ' ' H ' ' A' ' 178' ' ' SER . 76.5 t -59.22 -42.83 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.478 -179.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.9 -39.78 94.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -58.33 -49.54 76.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.532 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 32.5 t90 -70.55 -46.67 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 49.7 ttm -55.75 -47.31 77.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 91.3 m -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.34 -50.02 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.986 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.532 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 21.7 m -63.39 -51.62 65.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -177.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 189' ' ' LEU . 85.7 mt -70.42 -35.42 73.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' THR . 50.7 tp -56.47 -46.1 80.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.452 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.47 -41.93 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.513 179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.39 -44.92 95.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.52 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 190' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.522 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -136.71 149.19 47.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.636 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 46.37 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.529 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.413 ' O ' ' N ' ' B' ' 181' ' ' VAL . 40.5 t -148.21 122.56 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.641 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' B' ' 178' ' ' SER . 98.2 mm-40 38.17 -111.33 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.739 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.73 -44.88 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.665 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' B' ' 178' ' ' SER . 78.3 t -58.73 -43.13 87.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -63.6 -39.9 95.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -58.08 -49.09 78.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.508 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.518 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 30.6 t90 -71.16 -46.82 60.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.698 179.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.415 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.2 ttm -55.9 -46.97 78.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 89.4 m -74.49 -58.4 3.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.23 -50.31 74.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.518 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 17.3 m -62.39 -51.88 65.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.41 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 87.9 mt -70.93 -34.68 71.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.666 -177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.3 tp -57.08 -45.79 83.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.446 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.7 -41.98 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.422 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.6 -44.36 96.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.566 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 28.3 p30 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.542 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 17.0 pm0 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -100.18 129.33 46.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.607 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 50.37 -165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.555 ' O ' ' N ' ' A' ' 181' ' ' VAL . 13.8 p -169.64 -116.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.56 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 178' ' ' SER . 27.8 mm100 35.0 -103.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.755 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.76 -42.05 96.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.642 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.555 ' N ' ' O ' ' A' ' 178' ' ' SER . 64.2 t -59.36 -42.68 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.204 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -63.26 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.514 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -59.14 -49.25 78.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.551 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.536 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.5 t90 -71.64 -46.11 60.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.899 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.6 ttm -56.25 -45.3 80.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.601 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 86.8 m -74.23 -59.02 2.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.366 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 191' ' ' VAL . 99.7 mt-10 -59.97 -48.06 83.25 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.147 -176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.536 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 18.0 m -62.6 -52.43 63.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 -177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 192' ' ' GLN . 83.4 mt -71.48 -30.06 65.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.478 ' CB ' ' O ' ' A' ' 186' ' ' THR . 53.4 tp -63.37 -42.95 98.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.528 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 187' ' ' GLU . 67.6 t -66.17 -50.12 71.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.035 -179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 189' ' ' LEU . 4.2 pp0? -70.28 -23.36 62.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.537 -179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 189' ' ' LEU . 57.0 t-20 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.514 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -77.29 148.0 35.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . 55.04 -164.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.565 ' O ' ' N ' ' B' ' 181' ' ' VAL . 12.6 p -170.91 -115.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.475 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' B' ' 178' ' ' SER . 27.6 mm100 34.67 -103.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.757 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.99 -41.95 97.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.565 ' N ' ' O ' ' B' ' 178' ' ' SER . 69.0 t -59.66 -42.59 88.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.259 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -63.02 -38.82 92.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.622 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -58.72 -49.64 76.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.514 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 32.7 t90 -70.84 -46.49 62.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . . . . . . . . . 51.8 ttm -56.49 -44.56 80.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.692 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 85.7 m -74.75 -59.22 2.83 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.314 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.421 ' O ' HG23 ' B' ' 191' ' ' VAL . 99.8 mt-10 -59.57 -48.04 83.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 -176.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 18.4 m -62.76 -52.36 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' B' ' 193' ' ' ASN . 82.3 mt -71.57 -29.96 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 -178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.487 ' CB ' ' O ' ' B' ' 186' ' ' THR . 53.0 tp -63.37 -43.52 97.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.463 178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 187' ' ' GLU . 69.4 t -65.91 -50.17 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -70.28 -22.34 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' B' ' 189' ' ' LEU . 58.6 t-20 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.504 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.587 ' C ' ' H ' ' A' ' 177' ' ' ALA . 81.9 tt0 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.522 ' O ' ' CE ' ' A' ' 185' ' ' MET . 74.8 mt-30 66.91 -34.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.544 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.587 ' H ' ' C ' ' A' ' 175' ' ' GLU . . . -119.28 124.09 45.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.567 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 181' ' ' VAL . 61.3 m -152.85 114.8 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.564 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 178' ' ' SER . 78.5 mt-30 33.44 -103.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.71 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -56.7 -45.17 81.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' B' ' 181' ' ' VAL . 88.0 t -60.21 -41.77 88.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.323 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.24 -42.09 99.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -57.52 -49.77 75.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.58 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 34.7 t90 -71.05 -45.87 63.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.639 179.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 176' ' ' GLN . 33.9 ttm -55.87 -48.97 74.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.664 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.8 m -74.11 -52.43 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.006 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.6 -50.61 70.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.58 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 31.9 m -63.59 -51.54 64.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.898 -176.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.506 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 86.2 mt -68.46 -36.71 79.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 186' ' ' THR . 49.2 tp -57.22 -46.62 82.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.409 179.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.9 -44.57 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -62.07 -41.69 98.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 189' ' ' LEU . 70.2 m-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.52 ' HG3' ' H ' ' B' ' 177' ' ' ALA . 21.9 pt-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.454 ' O ' ' CE ' ' B' ' 185' ' ' MET . 16.2 pt20 -62.87 -29.96 71.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.52 ' H ' ' HG3' ' B' ' 175' ' ' GLU . . . -118.29 119.96 36.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.449 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.538 ' O ' ' N ' ' B' ' 181' ' ' VAL . 68.3 m -147.84 115.8 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.687 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' B' ' 178' ' ' SER . 78.9 mt-30 32.72 -103.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.779 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.24 -45.87 79.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.569 HG22 HG22 ' A' ' 181' ' ' VAL . 91.9 t -59.79 -41.55 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.261 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.6 -41.76 99.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.613 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.4 -49.87 74.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.585 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.1 t90 -71.19 -45.49 63.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.762 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.454 ' CE ' ' O ' ' B' ' 176' ' ' GLN . 34.2 ttm -56.01 -49.64 73.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.741 -177.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 92.4 m -73.6 -52.43 13.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -51.18 68.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.986 -177.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.585 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 31.8 m -62.99 -51.66 66.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -176.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.491 ' O ' ' ND2' ' B' ' 193' ' ' ASN . 88.5 mt -68.29 -36.69 79.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 -178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' B' ' 186' ' ' THR . 48.6 tp -57.56 -46.27 84.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.28 -44.32 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.47 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -62.45 -42.39 99.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.546 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' B' ' 189' ' ' LEU . 73.2 m-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.483 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 175' ' ' GLU . 59.6 mp0 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 177' ' ' ALA . 89.3 mm-40 -88.0 -1.39 57.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.517 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 178' ' ' SER . . . 65.49 -139.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.542 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 177' ' ' ALA . 0.7 OUTLIER 77.5 126.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -63.98 -38.57 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.61 -44.39 93.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' B' ' 181' ' ' VAL . 68.6 t -62.17 -43.32 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.465 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -61.11 -39.65 90.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -59.07 -47.97 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.574 ' CD1' ' OG1' ' A' ' 188' ' ' THR . 31.7 t90 -71.56 -46.29 59.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.706 179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . . . . . . . . . 50.9 ttm -56.1 -47.26 78.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.594 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 41.3 p -76.06 -53.34 8.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.878 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -61.61 -49.83 75.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.574 ' OG1' ' CD1' ' A' ' 184' ' ' TRP . 25.2 m -64.1 -51.45 63.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.73 -34.76 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 -177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' THR . 40.6 tp -57.02 -46.63 82.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.511 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.64 -44.48 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.405 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -61.79 -41.67 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.476 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.535 179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' B' ' 177' ' ' ALA . 86.1 tt0 . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' B' ' 177' ' ' ALA . 45.9 tt0 -63.13 -37.23 86.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' B' ' 176' ' ' GLN . . . 82.3 -143.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.617 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' B' ' 177' ' ' ALA . 0.7 OUTLIER 81.1 126.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.468 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -62.94 -40.04 96.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.64 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.442 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.46 HG22 HG22 ' A' ' 181' ' ' VAL . 77.5 t -61.83 -43.41 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.325 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.24 -39.76 91.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.574 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -58.6 -48.75 79.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.702 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.551 ' CD1' ' OG1' ' B' ' 188' ' ' THR . 31.5 t90 -70.91 -46.46 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.644 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.412 ' HA ' ' CE3' ' B' ' 184' ' ' TRP . 50.3 ttm -55.59 -48.01 75.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.541 -178.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 45.6 p -75.59 -54.53 6.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -178.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -59.93 -50.24 74.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.551 ' OG1' ' CD1' ' B' ' 184' ' ' TRP . 25.4 m -64.11 -51.71 62.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -177.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.21 -34.63 75.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.619 -178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.5 ' CB ' ' O ' ' B' ' 186' ' ' THR . 40.2 tp -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.434 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.57 -44.63 96.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.448 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.29 -42.18 98.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.504 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.503 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.715 HE22 HD22 ' B' ' 183' ' ' ASN . 18.9 pt20 -60.69 -19.04 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.525 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -150.97 155.78 39.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 181' ' ' VAL . 29.8 p -114.13 -119.69 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.49 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 40.94 -109.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.622 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.09 -43.17 95.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.552 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 178' ' ' SER . 73.4 t -60.28 -46.05 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.371 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.0 -39.59 95.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.525 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' A' ' 187' ' ' GLU . 49.1 t30 -57.6 -49.28 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.492 -179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' TRP . . . . . 0.738 ' CD1' HG21 ' A' ' 188' ' ' THR . 31.0 t90 -70.89 -45.07 65.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.732 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' MET . . . . . 0.447 ' HA ' ' CE3' ' A' ' 184' ' ' TRP . 47.2 ttm -54.99 -49.61 71.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -177.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' LEU . 92.6 m -75.07 -54.13 7.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 -177.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 183' ' ' ASN . 93.2 mt-10 -53.64 -55.48 25.59 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.175 -176.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.738 HG21 ' CD1' ' A' ' 184' ' ' TRP . 82.2 p -65.5 -50.25 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -176.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 185' ' ' MET . 85.1 mt -69.23 -35.33 76.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.615 -177.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' THR . 52.9 tp -57.29 -47.44 81.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.35 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 -42.66 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.388 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.77 -41.26 90.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.554 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -66.57 -31.12 71.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' ALA . . . . . . . . . . . . . . . -144.27 157.58 44.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.591 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 181' ' ' VAL . 34.0 p -113.41 -120.19 0.3 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.591 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 40.88 -109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -60.36 -42.44 95.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 178' ' ' SER . 77.1 t -60.95 -45.38 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -63.28 -39.84 95.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' ASN . . . . . 0.715 HD22 HE22 ' A' ' 176' ' ' GLN . 50.2 t30 -57.36 -49.9 74.67 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.731 ' CD1' HG21 ' B' ' 188' ' ' THR . 30.4 t90 -70.48 -44.19 68.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.74 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' B' ' 189' ' ' LEU . 47.9 ttm -55.97 -48.66 75.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.797 -177.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' B' ' 190' ' ' LEU . 91.0 m -75.76 -54.17 7.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' GLU . . . . . 0.431 ' OE2' ' OD1' ' B' ' 183' ' ' ASN . 93.2 mt-10 -53.63 -54.83 32.05 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -176.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 188' ' ' THR . . . . . 0.731 HG21 ' CD1' ' B' ' 184' ' ' TRP . 70.6 p -66.2 -50.5 63.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.058 -176.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 185' ' ' MET . 83.6 mt -69.16 -33.57 73.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 -177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 190' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' B' ' 186' ' ' THR . 51.4 tp -58.87 -47.5 84.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.481 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 72.4 t -64.13 -41.57 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.513 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 192' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.458 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 193' ' ' ASN . . . . . . . . . . . . . 49.8 p30 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.5 -179.969 . . . . . . . . 0 0 . 1 stop_ save_