data_2l2l_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 2l2l _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.322 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.423 HD11 HG21 ' B' ' 214' ' ' ILE . 97.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.448 ' HG1' ' CB ' ' B' ' 219' ' ' ASP . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' B' ' 219' ' ' ASP . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.448 ' CB ' ' HG1' ' B' ' 216' ' ' THR . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.405 HD13 HG22 ' B' ' 220' ' ' ILE . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 159' ' ' LEU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 162' ' ' LEU . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 165' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.561 ' HG1' ' H ' ' B' ' 219' ' ' ASP . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.561 ' H ' ' HG1' ' B' ' 216' ' ' THR . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.437 HD13 HG21 ' B' ' 220' ' ' ILE . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 145' ' ' ILE . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 148' ' ' LEU . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 162' ' ' LEU . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.625 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.847 0.356 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 159' ' ' LEU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 81.6 mmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.416 HD11 HG21 ' A' ' 145' ' ' ILE . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.418 ' O ' ' CD1' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.45 HG23 HD13 ' B' ' 214' ' ' ILE . 34.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 161' ' ' LEU . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.56 ' HG1' ' H ' ' B' ' 219' ' ' ASP . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.56 ' H ' ' HG1' ' B' ' 216' ' ' THR . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.442 HD11 HG23 ' B' ' 220' ' ' ILE . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . 0.419 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . 0.419 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 152' ' ' LEU . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 214' ' ' ILE . 96.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . 0.442 ' O ' ' CG2' ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.519 ' CB ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.716 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.451 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.435 HD11 HG23 ' B' ' 214' ' ' ILE . 97.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.451 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.481 ' CG ' ' H ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.481 ' H ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . 0.574 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.574 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.435 HD11 HG22 ' A' ' 145' ' ' ILE . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 148' ' ' LEU . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.41 HD12 HG22 ' B' ' 214' ' ' ILE . 47.0 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.357 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 54.7 mtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 148' ' ' LEU . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.499 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 214' ' ' ILE . 36.4 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 145' ' ' ILE . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 161' ' ' LEU . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.503 ' O ' ' OG ' ' A' ' 168' ' ' SER . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.816 0.341 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 220' ' ' ILE . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.432 HG23 HD11 ' B' ' 214' ' ' ILE . 41.0 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.541 ' HG1' ' CG ' ' B' ' 219' ' ' ASP . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.541 ' CG ' ' HG1' ' B' ' 216' ' ' THR . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.403 HD11 HG22 ' B' ' 220' ' ' ILE . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . 0.457 ' HG2' HH21 ' B' ' 226' ' ' ARG . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . 0.457 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 145' ' ' ILE . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 159' ' ' LEU . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.728 0.299 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . 0.717 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . 0.717 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 162' ' ' LEU . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.427 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.46 ' O ' ' OG ' ' A' ' 168' ' ' SER . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . 0.431 HG22 HD11 ' B' ' 214' ' ' ILE . 97.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . 0.436 HH21 ' CG ' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.472 HD13 ' N ' ' B' ' 238' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.519 ' CG2' ' NZ ' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.519 ' NZ ' ' CG2' ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 162' ' ' LEU . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.449 ' O ' ' OG ' ' A' ' 168' ' ' SER . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.701 ' HG ' ' H ' ' A' ' 169' ' ' GLN . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.701 ' H ' ' HG ' ' A' ' 168' ' ' SER . 97.1 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.774 0.321 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . 0.533 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.533 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.319 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.432 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . 0.45 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.451 HG23 HD12 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . 0.45 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 239' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 239' ' ' MET . 12.4 tmm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.416 ' O ' ' CD1' ' A' ' 159' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 159' ' ' LEU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.664 ' HZ3' ' NE2' ' A' ' 167' ' ' GLN . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.664 ' NE2' ' HZ3' ' A' ' 163' ' ' LYS . 89.5 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.777 0.322 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.58 ' HG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.58 ' CG ' ' HG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.313 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.436 HG23 HD12 ' B' ' 220' ' ' ILE . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . 0.772 ' NE2' HH21 ' B' ' 231' ' ' ARG . 72.4 tp60 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . 0.772 HH21 ' NE2' ' B' ' 228' ' ' GLN . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 233' ' ' LYS . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 162' ' ' LEU . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . 0.522 ' NZ ' ' NE2' ' A' ' 167' ' ' GLN . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 165' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . 0.522 ' NE2' ' NZ ' ' A' ' 163' ' ' LYS . 97.0 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.442 HG22 HD11 ' B' ' 220' ' ' ILE . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' B' ' 233' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.414 ' C ' ' CD1' ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.745 0.307 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 220' ' ' ILE . . . . . 0.404 HD13 HG21 ' B' ' 220' ' ' ILE . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 238' ' ' LEU . . . . . 0.419 ' N ' HD21 ' B' ' 238' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 239' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' B' ' 239' ' ' MET . 3.2 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.452 ' H2 ' ' H ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.452 ' H ' ' H2 ' ' A' ' 136' ' ' GLY . 7.9 t 36.93 69.73 1.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.602 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -55.28 -34.15 87.42 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.764 2.309 . . . . 0.0 112.111 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.03 -35.33 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -95.6 -7.01 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 83.2 mt -84.69 -46.01 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.534 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.494 ' O ' ' C ' ' A' ' 172' ' ' LYS . 16.5 pt20 -86.05 141.57 29.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 171' ' ' GLN . 98.2 mttt 33.04 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.8 mm-40 33.51 -118.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . -152.14 20.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 174' ' ' ALA . 72.1 m 36.48 -90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . -66.96 140.6 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -90.44 -6.92 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.565 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' SER . . . . . 0.498 ' C ' ' H ' ' B' ' 212' ' ' ALA . 16.1 m -60.94 -39.12 88.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -75.5 21.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 210' ' ' SER . . . -80.35 171.54 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.572 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 44.4 p90 -114.62 120.33 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.423 HD11 HG21 ' B' ' 214' ' ' ILE . 97.0 mt -123.36 124.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.448 ' HG1' ' CB ' ' B' ' 219' ' ' ASP . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' B' ' 219' ' ' ASP . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.448 ' CB ' ' HG1' ' B' ' 216' ' ' THR . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.405 HD13 HG22 ' B' ' 220' ' ' ILE . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp -69.01 -8.97 49.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -108.52 37.08 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.59 -35.11 71.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 41.9 pt -102.55 -32.35 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 98.4 mt -65.84 -40.65 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.575 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -168.85 77.14 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.534 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -55.23 -33.09 83.37 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.759 2.306 . . . . 0.0 112.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.76 -37.25 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.568 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.403 HH21 ' HA ' ' B' ' 243' ' ' LEU . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 159' ' ' LEU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 162' ' ' LEU . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 165' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.73 -21.03 16.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 84.7 mt -72.92 -43.73 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.45 140.58 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.28 -56.28 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 175' ' ' THR . 98.3 mt-10 -100.64 -19.36 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . 54.17 9.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 173' ' ' GLU . 19.7 m 60.93 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . 52.8 107.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -82.94 -9.43 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.618 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' SER . . . . . 0.578 ' O ' ' N ' ' B' ' 212' ' ' ALA . 64.1 m -103.03 120.96 41.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' B' ' 212' ' ' ALA . 7.4 ttmt 38.0 24.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' B' ' 210' ' ' SER . . . 34.96 -135.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -91.64 -178.26 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.85 131.25 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.475 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.561 ' HG1' ' H ' ' B' ' 219' ' ' ASP . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.561 ' H ' ' HG1' ' B' ' 216' ' ' THR . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.437 HG21 HD13 ' B' ' 220' ' ' ILE . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 240' ' ' ALA . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . 0.486 ' O ' ' OXT' ' B' ' 244' ' ' SER . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm -93.27 -18.05 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -76.29 139.5 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -89.89 -2.45 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.414 HG22 ' N ' ' B' ' 243' ' ' LEU . 4.0 tt -102.74 -34.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.414 ' N ' HG22 ' B' ' 242' ' ' ILE . 97.0 mt -97.05 -6.53 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.486 ' OXT' ' O ' ' B' ' 237' ' ' ALA . 3.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' A' ' 139' ' ' GLU . 0.3 OUTLIER 59.02 154.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.549 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.02 -20.57 44.31 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.815 2.343 . . . . 0.0 112.078 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.418 ' H ' ' HG ' ' A' ' 137' ' ' SER . 96.2 mt-10 -62.09 -42.94 99.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 145' ' ' ILE . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 148' ' ' LEU . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 162' ' ' LEU . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -51.42 -66.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.28 -43.45 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' LYS . 68.5 tp60 -39.1 106.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 52.7 tttm 38.68 54.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.81 -41.34 95.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.99 98.98 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 35.2 m -102.79 -14.92 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -172.23 -165.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.69 132.92 37.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.613 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 28.2 m -71.35 147.01 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.62 145.22 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.48 176.38 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.532 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -95.57 112.27 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt -124.64 127.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.625 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 240' ' ' ALA . 0.0 OUTLIER -84.08 -9.03 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.63 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -47.38 179.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 56.86 -70.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.63 ' N ' ' O ' ' B' ' 240' ' ' ALA . 94.2 mt -63.25 -43.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 3.3 tp 84.24 92.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.619 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.4 m -144.13 75.65 15.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.53 -37.0 90.28 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.902 2.401 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -61.86 -39.78 93.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.485 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.411 HD11 ' N ' ' A' ' 159' ' ' LEU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 170' ' ' ILE . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 170' ' ' ILE . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.46 -14.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 166' ' ' ARG . 2.6 mp -98.64 -37.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -70.33 131.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 23.0 pttp -84.3 146.91 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.5 mm-40 36.18 63.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.13 144.46 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 90.6 m -94.69 127.87 40.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . -163.38 -45.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' ALA . 21.3 mp0 38.76 22.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 176' ' ' ALA . 46.6 tttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 84.0 p -74.67 156.62 36.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.53 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -82.15 135.51 35.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 67.97 59.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.585 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 54.5 p90 -72.75 120.75 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt -75.29 140.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.623 ' O ' ' C ' ' B' ' 240' ' ' ALA . 81.6 mmm -61.42 -50.19 73.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.623 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 18.99 51.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 239' ' ' MET . 95.2 m-20 -75.29 -20.08 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' B' ' 242' ' ' ILE . 21.3 tt -146.09 65.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' B' ' 242' ' ' ILE . 81.8 mt 38.39 33.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.471 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 1.5 m -152.83 51.85 0.79 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.542 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 137' ' ' SER . 30.9 Cg_endo -63.71 -23.22 69.68 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.875 2.383 . . . . 0.0 112.106 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -66.25 -35.28 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 145' ' ' ILE . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.418 ' O ' ' CD1' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 171' ' ' GLN . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -41.16 -43.02 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.405 HD12 HG21 ' A' ' 170' ' ' ILE . 96.9 mt -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 168' ' ' SER . 97.8 mm-40 -70.06 122.0 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -91.59 -83.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -89.71 -12.45 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.76 143.75 57.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 81.8 m -87.3 131.22 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 177' ' ' GLN . . . -63.83 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 176' ' ' ALA . 99.2 mm-40 36.84 76.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 177' ' ' GLN . 55.7 mtpt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.546 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' SER . . . . . 0.494 ' O ' ' O ' ' B' ' 212' ' ' ALA . 34.8 m -59.29 -43.89 92.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' B' ' 210' ' ' SER . 62.7 mttp 36.24 -103.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 210' ' ' SER . . . -73.33 -176.88 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.49 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.6 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 20.6 p90 -151.01 75.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.45 HG23 HD13 ' B' ' 214' ' ' ILE . 34.1 mm -68.0 134.64 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' B' ' 242' ' ' ILE . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.6 ' O ' ' O ' ' B' ' 240' ' ' ALA . 66.2 mtt -76.73 -6.59 52.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.6 ' O ' ' O ' ' B' ' 239' ' ' MET . . . -49.05 -116.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' B' ' 242' ' ' ILE . 90.9 m-20 -60.96 -51.11 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.577 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.524 HG13 ' H ' ' B' ' 243' ' ' LEU . 1.2 pt -165.62 -85.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.524 ' H ' HG13 ' B' ' 242' ' ' ILE . 86.2 mt -124.04 104.32 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.561 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 136' ' ' GLY . 3.9 p -27.37 92.89 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.539 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' GLY . 51.0 Cg_exo -53.8 -37.97 85.04 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.786 2.324 . . . . 0.0 112.161 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.99 -39.17 93.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 161' ' ' LEU . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -69.65 -73.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.7 -44.37 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 54.11 -164.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 65.4 mttp -48.17 147.8 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 173' ' ' GLU . 2.6 pm0 -36.76 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.528 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.23 148.31 48.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.44 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 85.6 m -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -161.8 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -79.47 131.26 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 69.4 m -95.38 130.75 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.57 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 212' ' ' ALA . 98.3 mttt -64.14 -40.93 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 37.49 -160.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.571 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 83.7 t80 -123.86 58.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.61 137.82 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.56 ' HG1' ' H ' ' B' ' 219' ' ' ASP . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.56 ' H ' ' HG1' ' B' ' 216' ' ' THR . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.442 HG23 HD11 ' B' ' 220' ' ' ILE . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . 0.419 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . 0.419 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 241' ' ' ASP . 3.4 ttt -62.0 -51.81 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 22.73 44.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.567 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 239' ' ' MET . 85.9 m-20 -96.08 -7.99 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 20.8 tt -145.1 -36.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' B' ' 243' ' ' LEU . 4.2 tt -79.62 -75.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.605 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.601 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -93.34 -45.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.573 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 137' ' ' SER . 48.7 Cg_exo -54.86 -36.66 91.97 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.696 2.264 . . . . 0.0 112.198 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.66 -37.69 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . 0.503 ' N ' HD22 ' A' ' 152' ' ' LEU . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.86 -10.01 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 91.2 mt -94.22 -53.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 173' ' ' GLU . 62.0 tt0 -81.49 124.48 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.52 -43.04 99.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.507 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 171' ' ' GLN . 85.6 tt0 -113.5 108.53 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -88.83 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 93.8 m -98.89 127.17 44.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . 178.24 -108.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.18 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 176' ' ' ALA . 62.7 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' B' ' 210' ' ' SER . 0.9 OUTLIER 48.37 33.5 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.538 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -89.99 -9.68 47.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.589 ' C ' ' CD1' ' B' ' 213' ' ' PHE . . . -98.8 -8.73 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 212' ' ' ALA . 13.3 p90 41.48 98.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.617 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 214' ' ' ILE . 96.9 mt -68.99 141.98 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . 0.442 ' O ' ' CG2' ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm -79.08 -7.59 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' B' ' 244' ' ' SER . . . -64.45 -38.7 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.07 -53.28 48.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.43 HD12 HG23 ' B' ' 242' ' ' ILE . 96.5 mt -64.39 -48.61 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.18 -45.35 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.56 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.451 ' N ' ' O ' ' B' ' 240' ' ' ALA . 4.6 t . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.46 157.3 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.24 -21.07 48.59 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.797 2.331 . . . . 0.0 112.133 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -62.29 -36.67 82.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.519 ' CB ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.716 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.451 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -45.9 -28.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.452 HG22 HD11 ' A' ' 170' ' ' ILE . 39.6 mm -74.27 -47.97 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.53 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 172' ' ' LYS . 56.2 tt0 -178.87 162.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.436 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 99.0 mttt -74.09 143.66 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -40.83 -39.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . 71.45 -149.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 175' ' ' THR . 54.9 m -100.8 -6.91 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -151.01 -153.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.56 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -86.03 -5.81 59.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.571 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 10.5 p -157.29 163.88 38.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.485 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -91.92 -9.43 43.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.31 168.78 18.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -98.06 111.19 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.606 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.435 HD11 HG23 ' B' ' 214' ' ' ILE . 97.4 mt -124.89 127.38 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.451 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.481 ' CG ' ' H ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.481 ' H ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . 0.574 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.574 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp -96.53 -8.98 30.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -57.32 133.79 55.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.672 ' C ' ' H ' ' B' ' 243' ' ' LEU . 94.1 m-20 44.38 28.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 88.4 mt 58.54 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.672 ' H ' ' C ' ' B' ' 241' ' ' ASP . 54.0 tp -155.04 110.35 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.428 ' OXT' ' O ' ' B' ' 243' ' ' LEU . 1.4 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.413 ' C ' ' OG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.413 ' OG ' ' C ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER 70.65 153.09 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.548 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.79 -21.04 45.19 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.746 2.298 . . . . 0.0 112.127 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -64.96 -41.67 95.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.431 ' O ' ' CD1' ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.435 HD11 HG22 ' A' ' 145' ' ' ILE . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 148' ' ' LEU . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.53 -7.79 59.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.641 ' C ' ' H ' ' A' ' 172' ' ' LYS . 89.2 mt -63.59 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 66.12 -33.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.641 ' H ' ' C ' ' A' ' 170' ' ' ILE . 67.6 mttm -79.66 137.31 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -142.46 -45.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.584 ' C ' ' H ' ' A' ' 176' ' ' ALA . . . 173.84 -29.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.1 m 67.15 -14.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.584 ' H ' ' C ' ' A' ' 174' ' ' ALA . . . -167.08 128.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.657 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 178' ' ' LYS . 14.6 pt20 -152.4 15.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 177' ' ' GLN . 68.0 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 46.3 t -66.23 152.82 44.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' B' ' 212' ' ' ALA . 69.7 mmtt -64.96 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 211' ' ' LYS . . . 83.64 165.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 57.5 t80 56.08 84.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.41 HD12 HG22 ' B' ' 214' ' ' ILE . 47.0 mm -74.83 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.433 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . 0.433 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.556 ' O ' ' C ' ' B' ' 240' ' ' ALA . 54.7 mtt -59.66 -47.74 84.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.556 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 27.25 -122.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.612 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.65 -38.49 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' B' ' 243' ' ' LEU . 19.6 tt -167.33 -49.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.504 ' N ' ' CG2' ' B' ' 242' ' ' ILE . 4.2 tt -175.26 93.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.52 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 58.3 m -144.17 57.12 4.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.541 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.5 Cg_endo -66.21 -20.16 56.14 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.826 2.35 . . . . 0.0 112.146 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.84 -37.13 85.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 148' ' ' LEU . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.418 ' C ' ' CD1' ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.499 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 171' ' ' GLN . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.57 -73.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 170' ' ' ILE . 95.9 mt -48.17 -43.91 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 167' ' ' GLN . 65.3 tp60 -58.86 129.06 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 173' ' ' GLU . 99.0 mttt -75.91 146.38 39.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 172' ' ' LYS . 46.8 mt-10 34.14 65.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 175' ' ' THR . . . -89.1 -11.71 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 174' ' ' ALA . 38.2 m 35.33 86.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.7 107.82 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -97.11 -3.26 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.562 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 78.5 p -85.26 -5.79 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.522 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.71 -3.55 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 60.06 99.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -114.07 131.26 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.421 HG21 HD11 ' B' ' 214' ' ' ILE . 36.4 mm -82.44 152.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.442 ' C ' ' CD1' ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp -83.17 -9.12 59.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.7 93.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -63.81 -42.48 97.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.461 HG23 HD13 ' B' ' 242' ' ' ILE . 96.1 mt -83.43 -4.47 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.456 ' CD1' ' C ' ' B' ' 243' ' ' LEU . 0.2 OUTLIER 58.2 87.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.597 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.633 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.0 OUTLIER -68.56 -42.44 26.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.53 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 137' ' ' SER . 44.1 Cg_exo -55.59 -35.68 93.17 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.887 2.392 . . . . 0.0 112.079 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.12 -41.84 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.444 HD11 HG23 ' A' ' 145' ' ' ILE . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 161' ' ' LEU . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.503 ' O ' ' OG ' ' A' ' 168' ' ' SER . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.503 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -50.75 -71.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.5 ' O ' ' O ' ' A' ' 171' ' ' GLN . 93.7 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.5 ' O ' ' O ' ' A' ' 170' ' ' ILE . 50.8 tt0 55.67 153.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -74.4 -173.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 175' ' ' THR . 81.5 tt0 -64.62 -39.03 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 173' ' ' GLU . . . 37.06 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.582 ' C ' ' H ' ' A' ' 177' ' ' GLN . 19.0 m 50.53 100.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . 71.2 -23.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.582 ' H ' ' C ' ' A' ' 175' ' ' THR . 85.6 mt-30 -95.16 144.06 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 47.7 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.568 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 25.3 p -76.84 163.7 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.96 122.39 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -123.44 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 65.1 t80 -109.98 116.54 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt -122.47 124.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.408 HG22 HD11 ' B' ' 220' ' ' ILE . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt -80.23 -9.11 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -80.85 -19.45 44.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.78 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.555 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 2.9 tp -94.91 15.6 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 11.3 mp 50.7 71.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.481 ' O ' ' OE1' ' A' ' 140' ' ' GLU . 0.7 OUTLIER -41.67 155.66 0.23 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.507 ' O ' ' OE1' ' A' ' 142' ' ' GLU . 31.3 Cg_endo -63.87 -21.76 69.02 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.854 2.369 . . . . 0.0 112.133 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.11 -41.05 97.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.474 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' OE1' ' O ' ' A' ' 137' ' ' SER . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 138' ' ' PRO . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.53 -11.03 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.4 mt -92.38 -46.9 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -148.99 102.62 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -63.54 -39.68 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.63 117.23 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.98 -0.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 3.1 m -71.22 -1.65 13.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.76 88.21 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.673 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.422 ' O ' ' OXT' ' A' ' 178' ' ' LYS . 97.7 mm-40 -86.99 -7.92 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 177' ' ' GLN . 98.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . 0.422 ' H3 ' ' H ' ' B' ' 210' ' ' SER . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' SER . . . . . 0.483 ' O ' ' O ' ' B' ' 211' ' ' LYS . 1.3 m 45.95 30.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 210' ' ' SER . 67.3 mttm 37.93 -161.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 38.75 52.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.594 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 86.4 t80 -176.03 25.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.432 HG23 HD11 ' B' ' 214' ' ' ILE . 41.0 mm -82.76 152.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.541 ' HG1' ' CG ' ' B' ' 219' ' ' ASP . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.541 ' CG ' ' HG1' ' B' ' 216' ' ' THR . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.403 HD11 HG22 ' B' ' 220' ' ' ILE . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . 0.457 ' HG2' HH21 ' B' ' 226' ' ' ARG . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . 0.457 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp -77.84 -12.22 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.34 -8.04 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' B' ' 242' ' ' ILE . 20.1 tt -146.61 61.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' B' ' 244' ' ' SER . 4.2 mm? 57.87 17.17 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' B' ' 243' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -167.93 176.88 1.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.591 179.747 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 137' ' ' SER . 31.2 Cg_exo -57.95 -28.77 84.23 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.35 . . . . 0.0 112.096 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.443 HD12 HG21 ' A' ' 145' ' ' ILE . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.463 ' N ' HD23 ' A' ' 159' ' ' LEU . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 170' ' ' ILE . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -53.44 -7.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.519 ' H ' ' C ' ' A' ' 168' ' ' SER . 27.4 mm -91.13 -39.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -154.51 115.64 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.42 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 174' ' ' ALA . 80.9 tt0 -104.66 -59.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 173' ' ' GLU . . . 57.73 140.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 22.4 m -64.46 127.78 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -135.96 43.55 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -92.23 147.8 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 44.0 tttm . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.654 179.8 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 92.2 p -61.73 -29.54 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.527 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' B' ' 212' ' ' ALA . 87.9 tttt -73.77 134.36 43.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.511 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.526 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 40.62 -169.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 70.4 t80 -110.87 56.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt -71.41 150.91 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . 0.717 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . 0.717 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm -60.46 -40.95 93.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' B' ' 242' ' ' ILE . . . -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' B' ' 241' ' ' ASP . 43.8 t0 45.56 14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.536 ' H ' ' C ' ' B' ' 240' ' ' ALA . 21.4 tt -136.44 -46.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' B' ' 242' ' ' ILE . 54.2 tp -127.75 -73.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.47 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 2.0 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.519 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -69.99 -60.65 3.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.576 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 137' ' ' SER . 33.6 Cg_endo -63.87 -22.79 68.8 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.76 2.307 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.12 -40.5 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.588 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.432 ' N ' HD13 ' A' ' 162' ' ' LEU . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.427 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.46 ' O ' ' OG ' ' A' ' 168' ' ' SER . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 -49.32 -16.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.409 ' N ' ' C ' ' A' ' 168' ' ' SER . 91.0 mt -84.05 -39.27 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.4 mt-30 57.33 110.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -68.37 133.75 49.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -148.01 -42.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.24 26.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 96.8 m -100.11 84.72 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -97.54 -10.4 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -76.52 137.3 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.61 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 5.3 m -82.79 129.05 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -95.11 -5.3 44.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.568 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 70.04 15.72 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 84.5 t80 -103.89 55.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . 0.431 HG22 HD11 ' B' ' 214' ' ' ILE . 97.6 mt -68.08 138.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.51 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . 0.436 HH21 ' CG ' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.472 ' N ' HD13 ' B' ' 238' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm -57.6 -42.7 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -57.88 149.02 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' B' ' 243' ' ' LEU . 53.5 t0 -55.7 76.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.602 ' N ' ' O ' ' B' ' 240' ' ' ALA . 44.2 pt 36.63 23.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' B' ' 241' ' ' ASP . 52.3 tp -86.55 -19.8 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.588 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 1.1 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.566 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.29 153.79 1.05 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.62 -19.7 64.97 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.841 2.36 . . . . 0.0 112.157 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.41 ' HD2' ' H ' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.519 ' CG2' ' NZ ' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.519 ' NZ ' ' CG2' ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 162' ' ' LEU . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.449 ' O ' ' OG ' ' A' ' 168' ' ' SER . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.701 ' HG ' ' H ' ' A' ' 169' ' ' GLN . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.701 ' H ' ' HG ' ' A' ' 168' ' ' SER . 97.1 mt-30 -48.46 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.566 ' H ' ' C ' ' A' ' 168' ' ' SER . 38.3 mm -64.51 -44.28 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 173' ' ' GLU . 85.7 mt-30 50.88 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.51 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 39.7 28.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 171' ' ' GLN . 81.2 tt0 -160.91 120.36 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.65 142.57 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 2.9 m -93.3 -1.62 55.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 175' ' ' THR . . . 83.07 -66.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -92.35 126.75 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.52 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 58.0 m -131.62 153.66 49.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' B' ' 212' ' ' ALA . 65.2 mttp -91.86 -10.74 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' B' ' 211' ' ' LYS . . . 83.05 14.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -94.63 107.19 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.28 127.8 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . 0.533 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.533 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp -80.33 -13.8 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -63.76 138.09 58.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -83.48 -4.3 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.533 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 3.5 tp -97.47 -3.2 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 49.5 tp 48.78 79.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.639 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.574 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 m 42.95 72.97 1.01 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.07 -30.76 80.12 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.77 -28.53 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.425 ' NH1' HG22 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.06 -10.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 172' ' ' LYS . 87.6 mt -94.92 -46.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 52.28 -88.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 170' ' ' ILE . 15.5 ttmt 55.81 46.04 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.98 116.9 3.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.75 18.93 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.6 m -77.55 128.57 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -164.22 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 178' ' ' LYS . 30.1 pt20 -92.5 -4.84 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 177' ' ' GLN . 43.2 tttp . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 38.4 t -61.98 -41.45 98.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -91.84 143.72 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -173.23 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -92.92 171.85 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.598 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt -123.62 128.27 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.432 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . 0.45 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.451 HG23 HD12 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . 0.45 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 239' ' ' MET . 12.4 tmm? -76.42 -8.92 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -94.4 -17.58 22.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' B' ' 243' ' ' LEU . 99.6 m-20 -96.59 39.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.547 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.46 ' CG1' ' O ' ' B' ' 241' ' ' ASP . 47.4 pt 39.73 17.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' B' ' 241' ' ' ASP . 19.1 mt -95.44 -8.6 35.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.64 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.551 179.664 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.636 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -99.65 -43.48 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 137' ' ' SER . 47.4 Cg_exo -55.09 -38.01 93.71 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.767 2.311 . . . . 0.0 112.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.15 -40.28 95.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.416 ' O ' ' CD1' ' A' ' 159' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 159' ' ' LEU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.664 ' HZ3' ' NE2' ' A' ' 167' ' ' GLN . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.664 ' NE2' ' HZ3' ' A' ' 163' ' ' LYS . 89.5 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -42.31 -72.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 170' ' ' ILE . 95.9 mt -60.84 -43.8 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.442 ' OE1' ' OG1' ' A' ' 175' ' ' THR . 1.0 OUTLIER 56.45 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.655 ' C ' ' H ' ' A' ' 174' ' ' ALA . 98.7 mttt -81.32 172.35 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.13 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.655 ' H ' ' C ' ' A' ' 172' ' ' LYS . . . -83.74 -6.33 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 171' ' ' GLN . 27.3 m -62.56 132.85 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.627 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -166.18 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 41.6 86.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 44.2 t -137.68 141.22 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' B' ' 212' ' ' ALA . 55.3 mtmt -84.9 148.81 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 31.92 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 85.8 t80 -103.82 115.17 29.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.38 125.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.58 ' HG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.58 ' CG ' ' HG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp -58.31 -42.25 86.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' B' ' 241' ' ' ASP . . . -62.85 149.73 43.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' B' ' 244' ' ' SER . 1.0 OUTLIER 76.81 -65.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.405 HG21 HD13 ' B' ' 242' ' ' ILE . 45.4 mm -62.88 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 90.5 mt -107.7 -11.6 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.527 ' C ' ' H ' ' B' ' 241' ' ' ASP . 13.1 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.587 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.643 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -76.23 -42.89 3.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 137' ' ' SER . 37.3 Cg_exo -56.78 -34.06 95.64 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.795 2.33 . . . . 0.0 112.082 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -40.3 95.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.497 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.18 -6.54 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 171' ' ' GLN . 84.6 mt -78.9 -24.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.5 mt-30 57.62 115.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 127.47 31.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -102.59 -23.36 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.555 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -172.63 -45.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 18.9 m 39.18 87.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 177' ' ' GLN . . . 45.56 29.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 176' ' ' ALA . 58.1 tt0 42.09 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.63 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.94 5.48 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 212' ' ' ALA . 98.3 mttt -84.08 145.64 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.561 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . -32.15 137.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -108.05 -175.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm -122.99 128.65 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.436 HG23 HD12 ' B' ' 220' ' ' ILE . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . 0.772 ' NE2' HH21 ' B' ' 231' ' ' ARG . 72.4 tp60 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . 0.772 HH21 ' NE2' ' B' ' 228' ' ' GLN . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' B' ' 233' ' ' LYS . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -56.77 -43.84 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.29 99.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 241' ' ' ASP . 21.7 p-10 -72.57 -1.19 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 17.5 tt -106.77 4.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' B' ' 244' ' ' SER . 11.1 mp 57.25 71.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.475 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 14.6 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.567 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 40.7 t -173.15 51.75 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.535 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.8 Cg_endo -65.67 -22.78 57.21 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.6 -41.02 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 162' ' ' LEU . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.522 ' NZ ' ' NE2' ' A' ' 167' ' ' GLN . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 165' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . 0.522 ' NE2' ' NZ ' ' A' ' 163' ' ' LYS . 97.0 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 170' ' ' ILE . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.53 -8.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 172' ' ' LYS . 88.3 mt -63.67 -46.24 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.576 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . 0.546 ' O ' ' C ' ' A' ' 172' ' ' LYS . 53.2 tt0 49.9 -76.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.508 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . 0.699 ' N ' ' O ' ' A' ' 170' ' ' ILE . 68.0 mttm -27.81 -68.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -80.52 113.95 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.98 152.96 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 34.1 m -60.76 131.76 51.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.601 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.99 28.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 42.05 74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.9 pttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.556 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 67.5 m -59.82 -39.02 83.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' B' ' 212' ' ' ALA . 88.7 tttt -74.08 136.45 43.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 47.02 101.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . 0.582 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 30.9 p90 -114.99 121.35 42.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt -127.02 130.46 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.442 HD11 HG22 ' B' ' 220' ' ' ILE . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' B' ' 233' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' B' ' 244' ' ' SER . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER -73.38 -8.87 57.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -79.75 148.03 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 240' ' ' ALA . 99.1 m-20 37.09 -83.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.693 ' N ' ' O ' ' B' ' 240' ' ' ALA . 10.9 tt -166.93 -59.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.569 ' H ' ' CG2' ' B' ' 242' ' ' ILE . 57.5 mt -95.32 -2.11 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.423 ' C ' ' O ' ' B' ' 237' ' ' ALA . 10.7 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.537 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.507 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -178.91 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 137' ' ' SER . 31.3 Cg_endo -63.48 -23.44 71.0 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 0.0 112.185 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.57 -39.28 84.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.414 ' C ' ' CD1' ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 170' ' ' ILE . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -42.72 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 168' ' ' SER . 95.7 mt -63.8 -43.14 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 60.49 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.82 135.46 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -113.53 -31.13 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.96 95.84 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 87.0 m -62.32 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 141.03 57.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -93.05 -2.45 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.59 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 30.8 t -67.66 142.07 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -83.61 145.35 28.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -82.53 173.44 11.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.69 102.94 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt -125.01 128.42 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.404 HD13 HG21 ' B' ' 220' ' ' ILE . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 238' ' ' LEU . . . . . 0.419 ' N ' HD21 ' B' ' 238' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 239' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' B' ' 239' ' ' MET . 3.2 ppp? -94.49 -9.49 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -68.37 139.5 55.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' B' ' 242' ' ' ILE . 95.1 m-20 57.31 39.67 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.478 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 242' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' B' ' 243' ' ' LEU . 44.4 pt 35.72 44.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 243' ' ' LEU . . . . . 0.582 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 2.3 tt 87.96 79.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 244' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 1.6 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.322 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 148' ' ' LEU . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 154' ' ' LEU . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.424 HD11 HG21 ' B' ' 215' ' ' VAL . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 162' ' ' LEU . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 218' ' ' GLU . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' B' ' 218' ' ' GLU . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 154' ' ' LEU . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.55 ' O ' HD23 ' A' ' 159' ' ' LEU . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 162' ' ' LEU . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 155' ' ' GLU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 165' ' ' LEU . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 158' ' ' LYS . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 161' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.578 HG11 HD11 ' B' ' 220' ' ' ILE . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.578 HD11 HG11 ' B' ' 215' ' ' VAL . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.417 ' O ' HD23 ' B' ' 238' ' ' LEU . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 234' ' ' LEU . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.421 ' O ' HD23 ' A' ' 148' ' ' LEU . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 149' ' ' LYS . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 144' ' ' MET . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 146' ' ' LYS . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HD23 ' A' ' 162' ' ' LEU . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 165' ' ' LEU . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.655 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.655 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 58.3 mp0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.847 0.356 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.624 ' O ' HD13 ' A' ' 159' ' ' LEU . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.656 HD11 HG21 ' B' ' 215' ' ' VAL . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 165' ' ' LEU . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 162' ' ' LEU . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' B' ' 220' ' ' ILE . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 159' ' ' LEU . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 81.6 mmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 148' ' ' LEU . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 161' ' ' LEU . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.44 HD11 HG21 ' B' ' 215' ' ' VAL . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 162' ' ' LEU . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 222' ' ' LYS . . . . . 0.4 ' HE2' HH21 ' B' ' 226' ' ' ARG . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.48 ' O ' HG23 ' B' ' 230' ' ' VAL . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 230' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 226' ' ' ARG . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 238' ' ' LEU . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 154' ' ' LEU . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 162' ' ' LEU . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 220' ' ' ILE . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.443 HD11 HG11 ' B' ' 215' ' ' VAL . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 222' ' ' LYS . . . . . 0.454 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.454 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 152' ' ' LEU . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 230' ' ' VAL . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.657 HD21 ' OE1' ' B' ' 224' ' ' GLU . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 165' ' ' LEU . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 220' ' ' ILE . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 220' ' ' ILE . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.657 ' OE1' HD21 ' A' ' 159' ' ' LEU . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 230' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 152' ' ' LEU . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.507 ' C ' HD23 ' B' ' 234' ' ' LEU . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 238' ' ' LEU . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' C ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.738 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 223' ' ' GLN . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 161' ' ' LEU . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 165' ' ' LEU . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.476 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.476 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.42 ' HB3' HD13 ' A' ' 159' ' ' LEU . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 232' ' ' LYS . . . . . 0.571 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.571 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.723 ' O ' HD13 ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 144' ' ' MET . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.489 ' HE2' HD12 ' B' ' 234' ' ' LEU . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 162' ' ' LEU . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.357 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 220' ' ' ILE . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.481 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.629 HD11 HG11 ' B' ' 215' ' ' VAL . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 221' ' ' ARG . . . . . 0.481 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.489 HD12 ' HE2' ' A' ' 149' ' ' LYS . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 54.7 mtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.62 ' O ' HD13 ' A' ' 148' ' ' LEU . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 144' ' ' MET . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 230' ' ' VAL . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 154' ' ' LEU . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.431 HD13 HE22 ' B' ' 223' ' ' GLN . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 162' ' ' LEU . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.634 ' O ' HG23 ' B' ' 230' ' ' VAL . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 230' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 226' ' ' ARG . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 154' ' ' LEU . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.643 ' O ' HD13 ' A' ' 161' ' ' LEU . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 157' ' ' ALA . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 165' ' ' LEU . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.816 0.341 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 145' ' ' ILE . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' LEU . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.56 HD11 ' CB ' ' B' ' 223' ' ' GLN . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.676 HD11 HG21 ' B' ' 215' ' ' VAL . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 41.0 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 162' ' ' LEU . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.56 ' CB ' HD11 ' A' ' 159' ' ' LEU . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.482 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.497 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' B' ' 223' ' ' GLN . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.728 0.299 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.744 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.744 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 238' ' ' LEU . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HB3' HG22 ' B' ' 227' ' ' VAL . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 162' ' ' LEU . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.545 HD11 HG21 ' B' ' 227' ' ' VAL . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 158' ' ' LYS . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.475 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 165' ' ' LEU . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 220' ' ' ILE . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 221' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 159' ' ' LEU . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.621 ' O ' HD13 ' B' ' 238' ' ' LEU . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.621 HD13 ' O ' ' B' ' 234' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' H ' ' HD2' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.614 HG22 ' HZ3' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.614 ' HZ3' HG22 ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.538 HD21 ' OE2' ' B' ' 224' ' ' GLU . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.448 ' NH1' HG21 ' B' ' 220' ' ' ILE . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.774 0.321 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.448 HG21 ' NH1' ' A' ' 166' ' ' ARG . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 227' ' ' VAL . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.538 ' OE2' HD21 ' A' ' 159' ' ' LEU . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 223' ' ' GLN . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 228' ' ' GLN . . . . . 0.564 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.564 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 154' ' ' LEU . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 161' ' ' LEU . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' A' ' 159' ' ' LEU . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.415 HH12 HG21 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.319 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.453 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 218' ' ' GLU . . . . . 0.489 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 220' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 221' ' ' ARG . . . . . 0.489 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 239' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' B' ' 239' ' ' MET . 12.4 tmm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 154' ' ' LEU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' B' ' 234' ' ' LEU . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 154' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.777 0.322 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 216' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.437 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 152' ' ' LEU . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.313 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 148' ' ' LEU . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.582 HD21 ' HG3' ' B' ' 223' ' ' GLN . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.582 ' HG3' HD21 ' A' ' 159' ' ' LEU . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.47 HG21 HD11 ' A' ' 159' ' ' LEU . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 231' ' ' ARG . . . . . 0.55 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 234' ' ' LEU . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.718 ' HZ3' HD22 ' B' ' 234' ' ' LEU . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HG2' HH21 ' A' ' 153' ' ' ARG . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ARG . . . . . 0.402 HH21 ' HG2' ' A' ' 150' ' ' GLU . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.454 ' O ' HD23 ' A' ' 162' ' ' LEU . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 165' ' ' LEU . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.655 ' HA ' HE21 ' A' ' 167' ' ' GLN . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 161' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 164' ' ' LYS . 28.7 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 223' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 227' ' ' VAL . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 227' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 223' ' ' GLN . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.718 HD22 ' HZ3' ' A' ' 149' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.465 HD12 HG13 ' B' ' 230' ' ' VAL . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 159' ' ' LEU . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.67 HD11 HG21 ' B' ' 215' ' ' VAL . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 164' ' ' LYS . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.745 0.307 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 215' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 162' ' ' LEU . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 230' ' ' VAL . . . . . 0.465 HG13 HD12 ' A' ' 148' ' ' LEU . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 234' ' ' LEU . . . . . 0.428 ' O ' HD23 ' B' ' 238' ' ' LEU . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 238' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 234' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 239' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' B' ' 239' ' ' MET . 3.2 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' GLY . 7.9 t 36.93 69.73 1.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.602 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -55.28 -34.15 87.42 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.764 2.309 . . . . 0.0 112.111 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.03 -35.33 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 148' ' ' LEU . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 154' ' ' LEU . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.424 HD11 HG21 ' B' ' 215' ' ' VAL . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 170' ' ' ILE . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -95.6 -7.01 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 167' ' ' GLN . 83.2 mt -84.69 -46.01 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.534 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.494 ' O ' ' C ' ' A' ' 172' ' ' LYS . 16.5 pt20 -86.05 141.57 29.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 171' ' ' GLN . 98.2 mttt 33.04 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.8 mm-40 33.51 -118.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . -152.14 20.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 176' ' ' ALA . 72.1 m 36.48 -90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . -66.96 140.6 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -90.44 -6.92 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.565 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 210' ' ' SER . . . . . 0.462 ' C ' ' H ' ' B' ' 212' ' ' ALA . 16.1 m -60.94 -39.12 88.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -75.5 21.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' B' ' 210' ' ' SER . . . -80.35 171.54 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.572 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 44.4 p90 -114.62 120.33 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.0 mt -123.36 124.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 162' ' ' LEU . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 218' ' ' GLU . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' B' ' 218' ' ' GLU . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.626 ' O ' HD23 ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp -69.01 -8.97 49.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -108.52 37.08 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.59 -35.11 71.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 243' ' ' LEU . 41.9 pt -102.55 -32.35 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 243' ' ' LEU . 98.4 mt -65.84 -40.65 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.575 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -168.85 77.14 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.534 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -55.23 -33.09 83.37 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.759 2.306 . . . . 0.0 112.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.76 -37.25 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.568 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.414 HH21 ' HA ' ' B' ' 243' ' ' LEU . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 154' ' ' LEU . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' O ' HD23 ' A' ' 159' ' ' LEU . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 162' ' ' LEU . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 155' ' ' GLU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 165' ' ' LEU . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 158' ' ' LYS . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 161' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.737 ' HA ' HD12 ' A' ' 170' ' ' ILE . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.73 -21.03 16.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 167' ' ' GLN . 84.7 mt -72.92 -43.73 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -99.45 140.58 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.28 -56.28 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 175' ' ' THR . 98.3 mt-10 -100.64 -19.36 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . 54.17 9.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 176' ' ' ALA . 19.7 m 60.93 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . 52.8 107.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -82.94 -9.43 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.618 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 210' ' ' SER . . . . . 0.578 ' O ' ' N ' ' B' ' 212' ' ' ALA . 64.1 m -103.03 120.96 41.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' B' ' 212' ' ' ALA . 7.4 ttmt 38.0 24.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' B' ' 210' ' ' SER . . . 34.96 -135.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -91.64 -178.26 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.85 131.25 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.475 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.578 HG11 HD11 ' B' ' 220' ' ' ILE . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.578 HD11 HG11 ' B' ' 215' ' ' VAL . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.417 ' O ' HD23 ' B' ' 238' ' ' LEU . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 240' ' ' ALA . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 237' ' ' ALA . . . . . 0.486 ' O ' ' OXT' ' B' ' 244' ' ' SER . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 234' ' ' LEU . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm -93.27 -18.05 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -76.29 139.5 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -89.89 -2.45 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.413 HG23 ' HG ' ' B' ' 243' ' ' LEU . 4.0 tt -102.74 -34.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' B' ' 243' ' ' LEU . 97.0 mt -97.05 -6.53 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.486 ' OXT' ' O ' ' B' ' 237' ' ' ALA . 3.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.02 154.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.02 -20.57 44.31 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.815 2.343 . . . . 0.0 112.078 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.09 -42.94 99.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.421 ' O ' HD23 ' A' ' 148' ' ' LEU . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 149' ' ' LYS . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 144' ' ' MET . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 146' ' ' LYS . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HD23 ' A' ' 162' ' ' LEU . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 165' ' ' LEU . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.655 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -51.42 -66.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.28 -43.45 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' LYS . 68.5 tp60 -39.1 106.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 52.7 tttm 38.68 54.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.81 -41.34 95.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.99 98.98 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.424 ' O ' HG22 ' A' ' 175' ' ' THR . 35.2 m -102.79 -14.92 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -172.23 -165.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.69 132.92 37.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.613 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 28.2 m -71.35 147.01 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.62 145.22 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.48 176.38 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.532 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -95.57 112.27 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt -124.64 127.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.655 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 240' ' ' ALA . 0.0 OUTLIER -84.08 -9.03 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.63 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -47.38 179.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 56.86 -70.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.63 ' N ' ' O ' ' B' ' 240' ' ' ALA . 94.2 mt -63.25 -43.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 3.3 tp 84.24 92.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.419 ' H ' ' HB3' ' B' ' 239' ' ' MET . 3.6 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.4 m -144.13 75.65 15.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.53 -37.0 90.28 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.902 2.401 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -61.86 -39.78 93.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.485 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.624 ' O ' HD13 ' A' ' 159' ' ' LEU . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.656 HD11 HG21 ' B' ' 215' ' ' VAL . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 165' ' ' LEU . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 170' ' ' ILE . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 170' ' ' ILE . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -51.46 -14.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 166' ' ' ARG . 2.6 mp -98.64 -37.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -70.33 131.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 23.0 pttp -84.3 146.91 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.5 mm-40 36.18 63.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.13 144.46 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 90.6 m -94.69 127.87 40.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . -163.38 -45.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' ALA . 21.3 mp0 38.76 22.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 176' ' ' ALA . 46.6 tttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 84.0 p -74.67 156.62 36.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.53 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 19.8 pttp -82.15 135.51 35.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 67.97 59.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 54.5 p90 -72.75 120.75 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt -75.29 140.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 162' ' ' LEU . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' B' ' 220' ' ' ILE . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 159' ' ' LEU . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.623 ' O ' ' C ' ' B' ' 240' ' ' ALA . 81.6 mmm -61.42 -50.19 73.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.623 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 18.99 51.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 239' ' ' MET . 95.2 m-20 -75.29 -20.08 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.765 HG23 ' O ' ' B' ' 242' ' ' ILE . 21.3 tt -146.09 65.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' B' ' 242' ' ' ILE . 81.8 mt 38.39 33.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.471 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 1.5 m -152.83 51.85 0.79 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.542 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 137' ' ' SER . 30.9 Cg_endo -63.71 -23.22 69.68 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.875 2.383 . . . . 0.0 112.106 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -66.25 -35.28 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 148' ' ' LEU . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.44 HD11 HG21 ' B' ' 215' ' ' VAL . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 171' ' ' GLN . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -41.16 -43.02 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 168' ' ' SER . 97.8 mm-40 -70.06 122.0 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -91.59 -83.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -89.71 -12.45 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.76 143.75 57.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 81.8 m -87.3 131.22 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 177' ' ' GLN . . . -63.83 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 176' ' ' ALA . 99.2 mm-40 36.84 76.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 177' ' ' GLN . 55.7 mtpt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.546 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 210' ' ' SER . . . . . 0.494 ' O ' ' O ' ' B' ' 212' ' ' ALA . 34.8 m -59.29 -43.89 92.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' B' ' 210' ' ' SER . 62.7 mttp 36.24 -103.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 210' ' ' SER . . . -73.33 -176.88 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.49 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 20.6 p90 -151.01 75.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 34.1 mm -68.0 134.64 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 162' ' ' LEU . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 222' ' ' LYS . . . . . 0.4 ' HE2' HH21 ' B' ' 226' ' ' ARG . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.48 ' O ' HG23 ' B' ' 230' ' ' VAL . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 226' ' ' ARG . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' B' ' 242' ' ' ILE . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.6 ' O ' ' O ' ' B' ' 240' ' ' ALA . 66.2 mtt -76.73 -6.59 52.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.6 ' O ' ' O ' ' B' ' 239' ' ' MET . . . -49.05 -116.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.785 ' O ' HG23 ' B' ' 242' ' ' ILE . 90.9 m-20 -60.96 -51.11 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.577 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.785 HG23 ' O ' ' B' ' 241' ' ' ASP . 1.2 pt -165.62 -85.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.478 ' H ' HG13 ' B' ' 242' ' ' ILE . 86.2 mt -124.04 104.32 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.561 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 136' ' ' GLY . 3.9 p -27.37 92.89 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.539 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' GLY . 51.0 Cg_exo -53.8 -37.97 85.04 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.786 2.324 . . . . 0.0 112.161 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.99 -39.17 93.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 162' ' ' LEU . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -69.65 -73.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.7 -44.37 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 54.11 -164.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 65.4 mttp -48.17 147.8 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 173' ' ' GLU . 2.6 pm0 -36.76 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.528 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.23 148.31 48.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.44 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 85.6 m -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -161.8 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -79.47 131.26 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 69.4 m -95.38 130.75 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.57 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 212' ' ' ALA . 98.3 mttt -64.14 -40.93 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 37.49 -160.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 83.7 t80 -123.86 58.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.61 137.82 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 220' ' ' ILE . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.443 HD11 HG11 ' B' ' 215' ' ' VAL . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 222' ' ' LYS . . . . . 0.454 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.454 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 238' ' ' LEU . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 241' ' ' ASP . 3.4 ttt -62.0 -51.81 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 22.73 44.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.567 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 239' ' ' MET . 85.9 m-20 -96.08 -7.99 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.424 HG23 ' N ' ' B' ' 243' ' ' LEU . 20.8 tt -145.1 -36.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.52 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.644 HD23 ' C ' ' B' ' 243' ' ' LEU . 4.2 tt -79.62 -75.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.605 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.601 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -93.34 -45.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.573 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 137' ' ' SER . 48.7 Cg_exo -54.86 -36.66 91.97 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.696 2.264 . . . . 0.0 112.198 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.66 -37.69 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 152' ' ' LEU . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 230' ' ' VAL . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.657 HD21 ' OE1' ' B' ' 224' ' ' GLU . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 165' ' ' LEU . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 170' ' ' ILE . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.86 -10.01 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 167' ' ' GLN . 91.2 mt -94.22 -53.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 173' ' ' GLU . 62.0 tt0 -81.49 124.48 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.52 -43.04 99.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.507 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 171' ' ' GLN . 85.6 tt0 -113.5 108.53 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -88.83 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 93.8 m -98.89 127.17 44.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . 178.24 -108.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.18 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 176' ' ' ALA . 62.7 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 210' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' B' ' 210' ' ' SER . 0.9 OUTLIER 48.37 33.5 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.538 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -89.99 -9.68 47.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.589 ' C ' ' CD1' ' B' ' 213' ' ' PHE . . . -98.8 -8.73 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 212' ' ' ALA . 13.3 p90 41.48 98.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.617 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.99 141.98 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 220' ' ' ILE . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 220' ' ' ILE . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.657 ' OE1' HD21 ' A' ' 159' ' ' LEU . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 230' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 152' ' ' LEU . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.507 ' C ' HD23 ' B' ' 234' ' ' LEU . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 238' ' ' LEU . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm -79.08 -7.59 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' B' ' 244' ' ' SER . . . -64.45 -38.7 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.07 -53.28 48.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.39 -48.61 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.18 -45.35 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.56 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.451 ' N ' ' O ' ' B' ' 240' ' ' ALA . 4.6 t . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.46 157.3 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.24 -21.07 48.59 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.797 2.331 . . . . 0.0 112.133 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -62.29 -36.67 82.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' C ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.738 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 223' ' ' GLN . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 161' ' ' LEU . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 165' ' ' LEU . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.476 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -45.9 -28.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 170' ' ' ILE . 39.6 mm -74.27 -47.97 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.53 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 172' ' ' LYS . 56.2 tt0 -178.87 162.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 99.0 mttt -74.09 143.66 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 3.8 pm0 -40.83 -39.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 173' ' ' GLU . . . 71.45 -149.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' THR . 54.9 m -100.8 -6.91 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -151.01 -153.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.56 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -86.03 -5.81 59.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.571 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 10.5 p -157.29 163.88 38.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.485 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -91.92 -9.43 43.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.31 168.78 18.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -98.06 111.19 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.606 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.89 127.38 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.476 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.42 ' HB3' HD13 ' A' ' 159' ' ' LEU . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 232' ' ' LYS . . . . . 0.571 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.571 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp -96.53 -8.98 30.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -57.32 133.79 55.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.64 ' C ' ' H ' ' B' ' 243' ' ' LEU . 94.1 m-20 44.38 28.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.547 ' O ' HG22 ' B' ' 242' ' ' ILE . 88.4 mt 58.54 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.64 ' H ' ' C ' ' B' ' 241' ' ' ASP . 54.0 tp -155.04 110.35 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.428 ' OXT' ' O ' ' B' ' 243' ' ' LEU . 1.4 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.449 ' C ' ' HG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.449 ' HG ' ' C ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER 70.65 153.09 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.548 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.79 -21.04 45.19 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.746 2.298 . . . . 0.0 112.127 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -64.96 -41.67 95.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.723 ' O ' HD13 ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 144' ' ' MET . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.489 ' HE2' HD12 ' B' ' 234' ' ' LEU . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 162' ' ' LEU . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.53 -7.79 59.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.614 ' C ' ' H ' ' A' ' 172' ' ' LYS . 89.2 mt -63.59 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 66.12 -33.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 170' ' ' ILE . 67.6 mttm -79.66 137.31 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 174' ' ' ALA . 79.7 mm-40 -142.46 -45.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.569 ' C ' ' H ' ' A' ' 176' ' ' ALA . . . 173.84 -29.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.1 m 67.15 -14.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' A' ' 174' ' ' ALA . . . -167.08 128.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.657 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 178' ' ' LYS . 14.6 pt20 -152.4 15.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 177' ' ' GLN . 68.0 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 46.3 t -66.23 152.82 44.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 69.7 mmtt -64.96 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 83.64 165.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 57.5 t80 56.08 84.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.83 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 220' ' ' ILE . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.481 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.629 HD11 HG11 ' B' ' 215' ' ' VAL . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 221' ' ' ARG . . . . . 0.481 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.489 HD12 ' HE2' ' A' ' 149' ' ' LYS . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.556 ' O ' ' C ' ' B' ' 240' ' ' ALA . 54.7 mtt -59.66 -47.74 84.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.556 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 27.25 -122.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.612 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.65 -38.49 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.648 HG23 ' N ' ' B' ' 243' ' ' LEU . 19.6 tt -167.33 -49.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.648 ' N ' HG23 ' B' ' 242' ' ' ILE . 4.2 tt -175.26 93.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.52 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 58.3 m -144.17 57.12 4.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.541 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.5 Cg_endo -66.21 -20.16 56.14 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.826 2.35 . . . . 0.0 112.146 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.84 -37.13 85.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.62 ' O ' HD13 ' A' ' 148' ' ' LEU . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 144' ' ' MET . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 230' ' ' VAL . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 154' ' ' LEU . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.431 HD13 HE22 ' B' ' 223' ' ' GLN . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 171' ' ' GLN . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.57 -73.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.17 -43.91 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 167' ' ' GLN . 65.3 tp60 -58.86 129.06 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 173' ' ' GLU . 99.0 mttt -75.91 146.38 39.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 172' ' ' LYS . 46.8 mt-10 34.14 65.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 175' ' ' THR . . . -89.1 -11.71 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 174' ' ' ALA . 38.2 m 35.33 86.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.7 107.82 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -97.11 -3.26 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.562 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 78.5 p -85.26 -5.79 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.522 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.71 -3.55 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 60.06 99.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -114.07 131.26 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 36.4 mm -82.44 152.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 162' ' ' LEU . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.634 ' O ' HG23 ' B' ' 230' ' ' VAL . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 230' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 226' ' ' ARG . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp -83.17 -9.12 59.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.7 93.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -63.81 -42.48 97.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.595 ' O ' HG22 ' B' ' 242' ' ' ILE . 96.1 mt -83.43 -4.47 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.484 ' C ' HD13 ' B' ' 243' ' ' LEU . 0.2 OUTLIER 58.2 87.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.597 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.633 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.0 OUTLIER -68.56 -42.44 26.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.53 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 137' ' ' SER . 44.1 Cg_exo -55.59 -35.68 93.17 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.887 2.392 . . . . 0.0 112.079 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.12 -41.84 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 154' ' ' LEU . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.643 ' O ' HD13 ' A' ' 161' ' ' LEU . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 157' ' ' ALA . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 165' ' ' LEU . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -50.75 -71.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.5 ' O ' ' O ' ' A' ' 171' ' ' GLN . 93.7 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.5 ' O ' ' O ' ' A' ' 170' ' ' ILE . 50.8 tt0 55.67 153.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -74.4 -173.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 175' ' ' THR . 81.5 tt0 -64.62 -39.03 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 173' ' ' GLU . . . 37.06 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 173' ' ' GLU . 19.0 m 50.53 100.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 175' ' ' THR . . . 71.2 -23.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' A' ' 175' ' ' THR . 85.6 mt-30 -95.16 144.06 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 47.7 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.568 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 25.3 p -76.84 163.7 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.96 122.39 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -123.44 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 65.1 t80 -109.98 116.54 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt -122.47 124.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt -80.23 -9.11 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -80.85 -19.45 44.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.78 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.555 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.433 ' O ' HG23 ' B' ' 242' ' ' ILE . 2.9 tp -94.91 15.6 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.483 ' N ' HD12 ' B' ' 243' ' ' LEU . 11.3 mp 50.7 71.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.481 ' O ' ' OE1' ' A' ' 140' ' ' GLU . 0.7 OUTLIER -41.67 155.66 0.23 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.507 ' O ' ' OE1' ' A' ' 142' ' ' GLU . 31.3 Cg_endo -63.87 -21.76 69.02 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.854 2.369 . . . . 0.0 112.133 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.11 -41.05 97.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.474 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' OE1' ' O ' ' A' ' 137' ' ' SER . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 138' ' ' PRO . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 145' ' ' ILE . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' LEU . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.56 HD11 ' CB ' ' B' ' 223' ' ' GLN . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.676 HD11 HG21 ' B' ' 215' ' ' VAL . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 170' ' ' ILE . 94.3 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.53 -11.03 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 167' ' ' GLN . 96.4 mt -92.38 -46.9 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.488 ' HG3' HG22 ' A' ' 170' ' ' ILE . 93.1 mt-30 -148.99 102.62 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -63.54 -39.68 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.63 117.23 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.98 -0.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 3.1 m -71.22 -1.65 13.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.76 88.21 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.673 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.422 ' O ' ' OXT' ' A' ' 178' ' ' LYS . 97.7 mm-40 -86.99 -7.92 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 177' ' ' GLN . 98.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 210' ' ' SER . . . . . 0.483 ' O ' ' O ' ' B' ' 211' ' ' LYS . 1.3 m 45.95 30.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 210' ' ' SER . 67.3 mttm 37.93 -161.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 38.75 52.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 86.4 t80 -176.03 25.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 41.0 mm -82.76 152.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 162' ' ' LEU . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.56 ' CB ' HD11 ' A' ' 159' ' ' LEU . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.482 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp -77.84 -12.22 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.661 ' HB1' ' N ' ' B' ' 244' ' ' SER . . . -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.34 -8.04 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.782 HG23 ' O ' ' B' ' 242' ' ' ILE . 20.1 tt -146.61 61.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' B' ' 244' ' ' SER . 4.2 mm? 57.87 17.17 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.661 ' N ' ' HB1' ' B' ' 240' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -167.93 176.88 1.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.591 179.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 137' ' ' SER . 31.2 Cg_exo -57.95 -28.77 84.23 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.35 . . . . 0.0 112.096 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.497 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' B' ' 223' ' ' GLN . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 170' ' ' ILE . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -53.44 -7.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.486 ' H ' ' C ' ' A' ' 168' ' ' SER . 27.4 mm -91.13 -39.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 174' ' ' ALA . 67.9 tp60 -154.51 115.64 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.42 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 174' ' ' ALA . 80.9 tt0 -104.66 -59.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 173' ' ' GLU . . . 57.73 140.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 22.4 m -64.46 127.78 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -135.96 43.55 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -92.23 147.8 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 44.0 tttm . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.654 179.8 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 92.2 p -61.73 -29.54 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.527 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' B' ' 212' ' ' ALA . 87.9 tttt -73.77 134.36 43.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.511 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.526 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 40.62 -169.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 70.4 t80 -110.87 56.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt -71.41 150.91 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.744 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.744 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 238' ' ' LEU . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm -60.46 -40.95 93.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.52 ' O ' ' OD1' ' B' ' 241' ' ' ASP . 43.8 t0 45.56 14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.604 HG23 ' N ' ' B' ' 243' ' ' LEU . 21.4 tt -136.44 -46.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.604 ' N ' HG23 ' B' ' 242' ' ' ILE . 54.2 tp -127.75 -73.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 2.0 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.523 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -69.99 -60.65 3.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.576 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 137' ' ' SER . 33.6 Cg_endo -63.87 -22.79 68.8 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.76 2.307 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.12 -40.5 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.588 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HB3' HG22 ' B' ' 227' ' ' VAL . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 162' ' ' LEU . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.545 HD11 HG21 ' B' ' 227' ' ' VAL . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 158' ' ' LYS . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.475 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 165' ' ' LEU . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 170' ' ' ILE . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 -49.32 -16.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 167' ' ' GLN . 91.0 mt -84.05 -39.27 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.4 mt-30 57.33 110.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -68.37 133.75 49.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -148.01 -42.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.24 26.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 96.8 m -100.11 84.72 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -97.54 -10.4 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -76.52 137.3 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.61 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 5.3 m -82.79 129.05 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 72.4 mmtt -95.11 -5.3 44.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.568 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 70.04 15.72 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.553 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 84.5 t80 -103.89 55.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.08 138.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 220' ' ' ILE . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 221' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 159' ' ' LEU . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.621 ' O ' HD13 ' B' ' 238' ' ' LEU . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.621 HD13 ' O ' ' B' ' 234' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm -57.6 -42.7 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -57.88 149.02 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' B' ' 243' ' ' LEU . 53.5 t0 -55.7 76.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.602 ' N ' ' O ' ' B' ' 240' ' ' ALA . 44.2 pt 36.63 23.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' B' ' 241' ' ' ASP . 52.3 tp -86.55 -19.8 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.588 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 1.1 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.566 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.29 153.79 1.05 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.62 -19.7 64.97 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.841 2.36 . . . . 0.0 112.157 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HD2' ' H ' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.614 HG22 ' HZ3' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.614 ' HZ3' HG22 ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.538 HD21 ' OE2' ' B' ' 224' ' ' GLU . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 165' ' ' LEU . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.448 ' NH1' HG21 ' B' ' 220' ' ' ILE . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.405 ' O ' ' HB ' ' A' ' 170' ' ' ILE . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 170' ' ' ILE . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -48.46 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.548 ' H ' ' C ' ' A' ' 168' ' ' SER . 38.3 mm -64.51 -44.28 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 173' ' ' GLU . 85.7 mt-30 50.88 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.51 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 39.7 28.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 171' ' ' GLN . 81.2 tt0 -160.91 120.36 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.65 142.57 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.709 ' O ' ' HB3' ' A' ' 176' ' ' ALA . 2.9 m -93.3 -1.62 55.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 175' ' ' THR . . . 83.07 -66.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -92.35 126.75 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.52 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 58.0 m -131.62 153.66 49.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.703 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 65.2 mttp -91.86 -10.74 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 83.05 14.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -94.63 107.19 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.28 127.8 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.448 HG21 ' NH1' ' A' ' 166' ' ' ARG . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 227' ' ' VAL . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.538 ' OE2' HD21 ' A' ' 159' ' ' LEU . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 223' ' ' GLN . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 228' ' ' GLN . . . . . 0.564 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.564 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp -80.33 -13.8 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -63.76 138.09 58.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -83.48 -4.3 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.533 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 3.5 tp -97.47 -3.2 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 243' ' ' LEU . 49.5 tp 48.78 79.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.639 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.574 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 m 42.95 72.97 1.01 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.07 -30.76 80.12 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.77 -28.53 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 154' ' ' LEU . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.775 HD23 ' C ' ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 161' ' ' LEU . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' A' ' 159' ' ' LEU . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.415 HH12 HG21 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.06 -10.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 172' ' ' LYS . 87.6 mt -94.92 -46.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 173' ' ' GLU . 52.4 tt0 52.28 -88.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 170' ' ' ILE . 15.5 ttmt 55.81 46.04 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 171' ' ' GLN . 6.3 tm-20 -54.98 116.9 3.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.75 18.93 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.6 m -77.55 128.57 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -164.22 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 178' ' ' LYS . 30.1 pt20 -92.5 -4.84 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 177' ' ' GLN . 43.2 tttp . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 38.4 t -61.98 -41.45 98.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -91.84 143.72 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -173.23 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -92.92 171.85 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.598 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt -123.62 128.27 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.453 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 218' ' ' GLU . . . . . 0.489 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 221' ' ' ARG . . . . . 0.489 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.517 ' O ' ' SD ' ' B' ' 239' ' ' MET . 12.4 tmm? -76.42 -8.92 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -94.4 -17.58 22.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' B' ' 243' ' ' LEU . 99.6 m-20 -96.59 39.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.547 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.46 ' CG1' ' O ' ' B' ' 241' ' ' ASP . 47.4 pt 39.73 17.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' B' ' 241' ' ' ASP . 19.1 mt -95.44 -8.6 35.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.64 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.551 179.664 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.636 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -99.65 -43.48 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 137' ' ' SER . 47.4 Cg_exo -55.09 -38.01 93.71 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.767 2.311 . . . . 0.0 112.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.15 -40.28 95.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 154' ' ' LEU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' B' ' 234' ' ' LEU . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 154' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -42.31 -72.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.84 -43.8 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.59 ' NE2' ' OG1' ' A' ' 175' ' ' THR . 0.0 OUTLIER 56.45 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.637 ' C ' ' H ' ' A' ' 174' ' ' ALA . 98.7 mttt -81.32 172.35 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.13 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.637 ' H ' ' C ' ' A' ' 172' ' ' LYS . . . -83.74 -6.33 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.59 ' OG1' ' NE2' ' A' ' 171' ' ' GLN . 27.3 m -62.56 132.85 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.627 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -166.18 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 41.6 86.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 44.2 t -137.68 141.22 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' B' ' 212' ' ' ALA . 55.3 mtmt -84.9 148.81 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 31.92 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 85.8 t80 -103.82 115.17 29.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.38 125.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 216' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.437 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 152' ' ' LEU . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp -58.31 -42.25 86.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' B' ' 241' ' ' ASP . . . -62.85 149.73 43.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 244' ' ' SER . 1.0 OUTLIER 76.81 -65.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.88 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 90.5 mt -107.7 -11.6 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.585 ' C ' ' H ' ' B' ' 241' ' ' ASP . 13.1 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.587 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.643 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -76.23 -42.89 3.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 137' ' ' SER . 37.3 Cg_exo -56.78 -34.06 95.64 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.795 2.33 . . . . 0.0 112.082 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -40.3 95.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 148' ' ' LEU . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.582 HD21 ' HG3' ' B' ' 223' ' ' GLN . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 170' ' ' ILE . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.18 -6.54 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 167' ' ' GLN . 84.6 mt -78.9 -24.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.5 mt-30 57.62 115.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 127.47 31.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -102.59 -23.36 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.555 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -172.63 -45.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 175' ' ' THR . 18.9 m 39.18 87.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 177' ' ' GLN . . . 45.56 29.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 176' ' ' ALA . 58.1 tt0 42.09 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.63 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.94 5.48 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 212' ' ' ALA . 98.3 mttt -84.08 145.64 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.561 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . -32.15 137.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -108.05 -175.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm -122.99 128.65 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.582 ' HG3' HD21 ' A' ' 159' ' ' LEU . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.47 HG21 HD11 ' A' ' 159' ' ' LEU . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 231' ' ' ARG . . . . . 0.55 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.632 HD23 ' O ' ' B' ' 234' ' ' LEU . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -56.77 -43.84 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.29 99.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 241' ' ' ASP . 21.7 p-10 -72.57 -1.19 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 17.5 tt -106.77 4.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.426 HD12 ' N ' ' B' ' 243' ' ' LEU . 11.1 mp 57.25 71.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.475 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 14.6 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.567 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 40.7 t -173.15 51.75 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.535 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.8 Cg_endo -65.67 -22.78 57.21 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.6 -41.02 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.718 ' HZ3' HD22 ' B' ' 234' ' ' LEU . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HG2' HH21 ' A' ' 153' ' ' ARG . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ARG . . . . . 0.402 HH21 ' HG2' ' A' ' 150' ' ' GLU . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 154' ' ' LEU . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.454 ' O ' HD23 ' A' ' 162' ' ' LEU . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 165' ' ' LEU . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.655 ' HA ' HE21 ' A' ' 167' ' ' GLN . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 161' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 164' ' ' LYS . 28.7 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 170' ' ' ILE . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.53 -8.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 172' ' ' LYS . 88.3 mt -63.67 -46.24 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.576 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLN . . . . . 0.546 ' O ' ' C ' ' A' ' 172' ' ' LYS . 53.2 tt0 49.9 -76.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.508 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LYS . . . . . 0.699 ' N ' ' O ' ' A' ' 170' ' ' ILE . 68.0 mttm -27.81 -68.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -80.52 113.95 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.98 152.96 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 177' ' ' GLN . 34.1 m -60.76 131.76 51.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.601 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.99 28.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' GLN . . . . . 0.477 ' H ' HG22 ' A' ' 175' ' ' THR . 99.8 mm-40 42.05 74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.9 pttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.556 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 67.5 m -59.82 -39.02 83.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 211' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' B' ' 212' ' ' ALA . 88.7 tttt -74.08 136.45 43.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 47.02 101.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 213' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' B' ' 213' ' ' PHE . 30.9 p90 -114.99 121.35 42.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt -127.02 130.46 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 223' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 227' ' ' VAL . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 227' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 223' ' ' GLN . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.718 HD22 ' HZ3' ' A' ' 149' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 237' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' B' ' 244' ' ' SER . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER -73.38 -8.87 57.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 240' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -79.75 148.03 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 240' ' ' ALA . 99.1 m-20 37.09 -83.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.777 HG23 ' H ' ' B' ' 243' ' ' LEU . 10.9 tt -166.93 -59.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.777 ' H ' HG23 ' B' ' 242' ' ' ILE . 57.5 mt -95.32 -2.11 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.667 ' CB ' ' HB3' ' B' ' 240' ' ' ALA . 10.7 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.537 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -178.91 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 137' ' ' SER . 31.3 Cg_endo -63.48 -23.44 71.0 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 0.0 112.185 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.57 -39.28 84.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.465 HD12 HG13 ' B' ' 230' ' ' VAL . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 159' ' ' LEU . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.67 HD11 HG21 ' B' ' 215' ' ' VAL . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 164' ' ' LYS . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.639 ' O ' HD13 ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 170' ' ' ILE . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -42.72 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 168' ' ' SER . 95.7 mt -63.8 -43.14 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 60.49 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.82 135.46 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -113.53 -31.13 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.96 95.84 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 87.0 m -62.32 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 141.03 57.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -93.05 -2.45 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.59 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 30.8 t -67.66 142.07 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -83.61 145.35 28.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -82.53 173.44 11.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.69 102.94 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt -125.01 128.42 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 215' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 162' ' ' LEU . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 230' ' ' VAL . . . . . 0.465 HG13 HD12 ' A' ' 148' ' ' LEU . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 234' ' ' LEU . . . . . 0.428 ' O ' HD23 ' B' ' 238' ' ' LEU . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 238' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 234' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 239' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' B' ' 239' ' ' MET . 3.2 ppp? -94.49 -9.49 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -68.37 139.5 55.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' B' ' 242' ' ' ILE . 95.1 m-20 57.31 39.67 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.478 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 242' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' B' ' 243' ' ' LEU . 44.4 pt 35.72 44.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 243' ' ' LEU . . . . . 0.582 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 2.3 tt 87.96 79.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 244' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 1.6 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.775 0.322 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 148' ' ' LEU . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 154' ' ' LEU . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.424 HD11 HG21 ' B' ' 215' ' ' VAL . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 162' ' ' LEU . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 218' ' ' GLU . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' B' ' 218' ' ' GLU . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.835 0.35 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 154' ' ' LEU . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.55 ' O ' HD23 ' A' ' 159' ' ' LEU . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 162' ' ' LEU . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 155' ' ' GLU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 165' ' ' LEU . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 158' ' ' LYS . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 161' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.578 HG11 HD11 ' B' ' 220' ' ' ILE . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.578 HD11 HG11 ' B' ' 215' ' ' VAL . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.417 ' O ' HD23 ' B' ' 238' ' ' LEU . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 234' ' ' LEU . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.877 0.37 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.421 ' O ' HD23 ' A' ' 148' ' ' LEU . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 149' ' ' LYS . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 144' ' ' MET . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 146' ' ' LYS . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HD23 ' A' ' 162' ' ' LEU . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 165' ' ' LEU . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.655 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.655 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.455 ' N ' ' OE1' ' A' ' 139' ' ' GLU . 58.3 mp0 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.847 0.356 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.624 ' O ' HD13 ' A' ' 159' ' ' LEU . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.656 HD11 HG21 ' B' ' 215' ' ' VAL . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 165' ' ' LEU . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.774 0.321 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 162' ' ' LEU . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' B' ' 220' ' ' ILE . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 159' ' ' LEU . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 81.6 mmm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.77 0.319 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 148' ' ' LEU . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.44 HD11 HG21 ' B' ' 215' ' ' VAL . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 162' ' ' LEU . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . 0.4 ' HE2' HH21 ' B' ' 226' ' ' ARG . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.48 ' O ' HG23 ' B' ' 230' ' ' VAL . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 226' ' ' ARG . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 238' ' ' LEU . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.752 0.311 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 162' ' ' LEU . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.815 0.341 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 220' ' ' ILE . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.443 HD11 HG11 ' B' ' 215' ' ' VAL . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . 0.454 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.454 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' B' ' 238' ' ' LEU . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.805 0.336 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 152' ' ' LEU . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 230' ' ' VAL . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.657 HD21 ' OE1' ' B' ' 224' ' ' GLU . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 165' ' ' LEU . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.749 0.309 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 220' ' ' ILE . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 220' ' ' ILE . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.657 ' OE1' HD21 ' A' ' 159' ' ' LEU . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 152' ' ' LEU . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.507 ' C ' HD23 ' B' ' 234' ' ' LEU . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 238' ' ' LEU . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' C ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.738 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 223' ' ' GLN . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 161' ' ' LEU . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 165' ' ' LEU . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.476 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.749 0.309 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.476 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.42 ' HB3' HD13 ' A' ' 159' ' ' LEU . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . 0.571 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.571 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.778 0.323 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.723 ' O ' HD13 ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 144' ' ' MET . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.489 ' HE2' HD12 ' B' ' 234' ' ' LEU . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 162' ' ' LEU . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 47.0 mm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.357 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 220' ' ' ILE . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.481 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.629 HD11 HG11 ' B' ' 215' ' ' VAL . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . 0.481 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.489 HD12 ' HE2' ' A' ' 149' ' ' LYS . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 54.7 mtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.62 ' O ' HD13 ' A' ' 148' ' ' LEU . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 144' ' ' MET . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 230' ' ' VAL . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 154' ' ' LEU . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.643 ' O ' HD13 ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.431 HD13 HE22 ' B' ' 223' ' ' GLN . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 162' ' ' LEU . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.634 ' O ' HG23 ' B' ' 230' ' ' VAL . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 226' ' ' ARG . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.54 ' O ' HD13 ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.859 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 154' ' ' LEU . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.643 ' O ' HD13 ' A' ' 161' ' ' LEU . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 157' ' ' ALA . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 165' ' ' LEU . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.816 0.341 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.779 0.324 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 145' ' ' ILE . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' LEU . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.56 HD11 ' CB ' ' B' ' 223' ' ' GLN . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.676 HD11 HG21 ' B' ' 215' ' ' VAL . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 41.0 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 162' ' ' LEU . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.56 ' CB ' HD11 ' A' ' 159' ' ' LEU . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.482 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.497 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' B' ' 223' ' ' GLN . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.728 0.299 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.744 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.744 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 238' ' ' LEU . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.822 0.344 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HB3' HG22 ' B' ' 227' ' ' VAL . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 162' ' ' LEU . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.545 HD11 HG21 ' B' ' 227' ' ' VAL . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 158' ' ' LYS . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.475 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 165' ' ' LEU . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.806 0.336 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 220' ' ' ILE . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 159' ' ' LEU . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.621 ' O ' HD13 ' B' ' 238' ' ' LEU . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.621 HD13 ' O ' ' B' ' 234' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HD2' ' H ' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.614 HG22 ' HZ3' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.614 ' HZ3' HG22 ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.538 HD21 ' OE2' ' B' ' 224' ' ' GLU . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.448 ' NH1' HG21 ' B' ' 220' ' ' ILE . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.774 0.321 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.448 HG21 ' NH1' ' A' ' 166' ' ' ARG . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 227' ' ' VAL . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.538 ' OE2' HD21 ' A' ' 159' ' ' LEU . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 223' ' ' GLN . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . 0.564 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.564 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.784 0.326 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 154' ' ' LEU . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.775 ' C ' HD23 ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 161' ' ' LEU . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' A' ' 159' ' ' LEU . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.415 HH12 HG21 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.771 0.319 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.453 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . 0.489 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . 0.489 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 239' ' ' MET . 12.4 tmm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 154' ' ' LEU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' B' ' 234' ' ' LEU . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 154' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.777 0.322 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.437 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 152' ' ' LEU . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.756 0.313 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 148' ' ' LEU . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.582 HD21 ' HG3' ' B' ' 223' ' ' GLN . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.828 0.347 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.582 ' HG3' HD21 ' A' ' 159' ' ' LEU . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.47 HG21 HD11 ' A' ' 159' ' ' LEU . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . 0.785 ' NE2' HH21 ' B' ' 231' ' ' ARG . 72.4 tp60 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . 0.785 HH21 ' NE2' ' B' ' 228' ' ' GLN . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 234' ' ' LEU . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.718 ' HZ3' HD22 ' B' ' 234' ' ' LEU . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HG2' HH21 ' A' ' 153' ' ' ARG . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . 0.402 HH21 ' HG2' ' A' ' 150' ' ' GLU . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 154' ' ' LEU . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.454 ' O ' HD23 ' A' ' 162' ' ' LEU . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 165' ' ' LEU . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . 0.522 ' NZ ' ' NE2' ' A' ' 167' ' ' GLN . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 161' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . 0.522 ' NE2' ' NZ ' ' A' ' 163' ' ' LYS . 97.0 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 227' ' ' VAL . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 223' ' ' GLN . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.718 HD22 ' HZ3' ' A' ' 149' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.465 HD12 HG13 ' B' ' 230' ' ' VAL . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 159' ' ' LEU . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.67 HD11 HG21 ' B' ' 215' ' ' VAL . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 164' ' ' LYS . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.745 0.307 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 215' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 162' ' ' LEU . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 230' ' ' VAL . . . . . 0.465 HG13 HD12 ' A' ' 148' ' ' LEU . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 234' ' ' LEU . . . . . 0.428 ' O ' HD23 ' B' ' 238' ' ' LEU . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 238' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 234' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 239' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' B' ' 239' ' ' MET . 3.2 ppp? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' GLY . 7.9 t 36.93 69.73 1.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.602 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -55.28 -34.15 87.42 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.764 2.309 . . . . 0.0 112.111 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.03 -35.33 79.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.498 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -58.69 -41.14 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.41 -43.31 99.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -68.05 -36.72 80.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -60.14 -42.27 94.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.2 ttp -59.3 -40.02 84.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.59 -43.79 98.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.531 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -63.39 -44.14 95.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.86 -46.84 87.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 148' ' ' LEU . 98.0 mt -62.89 -29.58 70.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.43 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.75 -43.32 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.16 -51.31 61.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.468 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.65 -30.8 70.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.456 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.82 -43.9 97.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.455 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -63.95 -46.19 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.476 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 154' ' ' LEU . 97.6 mt -65.63 -41.57 92.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.57 -40.33 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.482 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -71.14 -43.28 67.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.496 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.0 -50.17 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.22 -40.13 89.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.456 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.43 -49.76 76.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.91 -44.02 89.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.532 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -60.92 -42.23 97.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.519 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.424 HD11 HG21 ' B' ' 215' ' ' VAL . 55.0 tp -58.14 -41.38 83.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.68 -43.01 94.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.58 -36.88 81.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.3 mt -62.2 -39.56 93.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.525 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -63.13 -42.38 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.545 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' A' ' 170' ' ' ILE . 68.6 tp60 -77.68 -18.08 57.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.511 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 33.5 t -80.29 -18.08 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.498 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -95.6 -7.01 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.55 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 167' ' ' GLN . 83.2 mt -84.69 -46.01 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.534 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.494 ' O ' ' C ' ' A' ' 172' ' ' LYS . 16.5 pt20 -86.05 141.57 29.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 171' ' ' GLN . 98.2 mttt 33.04 83.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.8 mm-40 33.51 -118.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.567 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . -152.14 20.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 176' ' ' ALA . 72.1 m 36.48 -90.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.543 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . -66.96 140.6 57.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -90.44 -6.92 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.565 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . 0.462 ' C ' ' H ' ' B' ' 212' ' ' ALA . 16.1 m -60.94 -39.12 88.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -75.5 21.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' B' ' 210' ' ' SER . . . -80.35 171.54 14.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.572 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 44.4 p90 -114.62 120.33 39.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.0 mt -123.36 124.12 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 162' ' ' LEU . 22.3 t -85.52 130.38 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.559 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 13.0 p -100.99 157.16 16.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.535 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.575 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' B' ' 218' ' ' GLU . 1.1 pt-20 -67.24 -55.76 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' B' ' 218' ' ' GLU . 29.6 t70 -43.61 -37.52 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.595 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 83.8 mt -67.46 -42.93 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.96 -44.08 91.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.66 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 35.1 tptt -59.88 -32.17 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -70.11 -42.36 72.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.592 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.89 -41.53 87.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -61.81 -40.69 96.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -62.09 -44.08 97.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.6 -42.61 93.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -55.48 -37.76 68.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.602 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -62.98 -42.05 99.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.544 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 68.5 t -61.21 -45.81 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -56.93 -43.24 81.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.497 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -50.71 -49.27 57.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.56 -22.06 66.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.626 HD23 ' O ' ' B' ' 234' ' ' LEU . 2.8 tt -76.47 -56.81 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.571 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.93 -38.57 86.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.529 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.93 -54.29 28.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.35 69.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.459 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 58.2 tp -80.03 -33.99 38.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.523 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 48.5 ttp -69.01 -8.97 49.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.581 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -108.52 37.08 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.544 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.59 -35.11 71.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.6 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 243' ' ' LEU . 41.9 pt -102.55 -32.35 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 243' ' ' LEU . 98.4 mt -65.84 -40.65 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.601 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.575 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 t -168.85 77.14 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.534 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -55.23 -33.09 83.37 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.759 2.306 . . . . 0.0 112.149 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.76 -37.25 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.568 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.45 -39.95 95.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.597 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.414 HH21 ' HA ' ' B' ' 243' ' ' LEU . 82.1 mtp180 -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.573 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.96 -33.37 75.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.99 -43.31 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.509 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.2 mmm -60.65 -42.05 96.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.5 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.62 -46.33 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.21 -43.17 92.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.501 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.73 -38.2 89.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.5 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.0 mt -63.22 -38.07 89.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.486 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.07 -30.77 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.452 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -68.49 -56.46 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.445 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -62.2 -29.69 70.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.66 -43.79 97.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.521 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -60.75 -42.24 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.442 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 154' ' ' LEU . 90.8 mt -65.8 -40.57 92.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.528 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' O ' HD23 ' A' ' 159' ' ' LEU . 95.8 mt-10 -62.93 -42.1 99.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.422 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -73.7 -43.03 60.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.55 -56.26 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.463 ' O ' HD13 ' A' ' 162' ' ' LEU . 34.9 tttp -53.89 -48.27 70.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.509 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 155' ' ' GLU . 3.4 mm? -55.01 -44.68 74.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.9 t -60.89 -41.61 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.476 178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 165' ' ' LEU . 95.8 mt -61.91 -41.32 97.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.454 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 158' ' ' LYS . 8.3 mp -59.04 -36.37 74.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.478 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.97 -43.58 98.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.494 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.85 -40.83 97.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 161' ' ' LEU . 8.0 mp -62.01 -42.4 99.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.515 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.572 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 59.0 ttt85 -64.72 -41.17 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.737 ' HA ' HD12 ' A' ' 170' ' ' ILE . 51.5 tt0 -57.66 -25.97 60.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 3.7 t -69.88 -54.71 12.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.495 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -55.73 -21.03 16.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.509 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 167' ' ' GLN . 84.7 mt -72.92 -43.73 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -99.45 140.58 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.28 -56.28 15.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 175' ' ' THR . 98.3 mt-10 -100.64 -19.36 16.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 176' ' ' ALA . . . 54.17 9.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.521 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.456 ' O ' ' O ' ' A' ' 176' ' ' ALA . 19.7 m 60.93 -79.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 174' ' ' ALA . . . 52.8 107.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -82.94 -9.43 59.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.618 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . 0.578 ' O ' ' N ' ' B' ' 212' ' ' ALA . 64.1 m -103.03 120.96 41.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.757 0.313 . . . . 0.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' B' ' 212' ' ' ALA . 7.4 ttmt 38.0 24.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' B' ' 210' ' ' SER . . . 34.96 -135.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.556 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -91.64 -178.26 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.85 131.25 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.475 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.578 HG11 HD11 ' B' ' 220' ' ' ILE . 55.8 t -106.53 134.32 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.664 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 7.3 p -100.41 160.14 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.504 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.572 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.2 m-20 -74.57 -21.73 59.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.579 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -86.85 -18.27 31.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.563 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -86.57 -32.83 20.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.601 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.578 HD11 HG11 ' B' ' 215' ' ' VAL . 84.9 mt -73.16 -43.02 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -60.38 -49.74 76.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -62.31 -31.8 72.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.589 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -69.3 -42.01 76.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -71.34 -37.45 71.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.6 -41.55 90.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -62.38 -41.29 98.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.572 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.49 -41.8 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.594 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -57.21 -38.82 74.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.26 -37.43 85.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.36 -43.65 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.52 ' NE ' ' OE2' ' B' ' 235' ' ' GLU . 60.4 ttt85 -56.69 -40.81 76.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -54.92 -54.76 38.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.526 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -58.57 -20.05 43.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.513 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.417 ' O ' HD23 ' B' ' 238' ' ' LEU . 2.8 mm? -82.26 -52.27 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.556 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . 0.52 ' OE2' ' NE ' ' B' ' 231' ' ' ARG . 96.3 mt-10 -66.8 -36.67 82.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.479 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' B' ' 240' ' ' ALA . 96.5 mt-10 -64.28 -47.45 79.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . 0.486 ' O ' ' OXT' ' B' ' 244' ' ' SER . . . -60.19 -22.31 62.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.511 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.417 HD23 ' O ' ' B' ' 234' ' ' LEU . 4.0 mm? -94.05 -27.2 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.539 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 32.6 ttm -93.27 -18.05 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -76.29 139.5 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.599 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -89.89 -2.45 58.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.413 HG23 ' HG ' ' B' ' 243' ' ' LEU . 4.0 tt -102.74 -34.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' B' ' 243' ' ' LEU . 97.0 mt -97.05 -6.53 35.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.548 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.486 ' OXT' ' O ' ' B' ' 237' ' ' ALA . 3.2 t . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.599 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.02 154.93 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 110.549 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.02 -20.57 44.31 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.815 2.343 . . . . 0.0 112.078 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.09 -42.94 99.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.597 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.71 -42.29 86.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.493 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -61.51 -44.02 97.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -69.92 -35.94 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.62 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -61.0 -41.58 96.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.421 ' O ' HD23 ' A' ' 148' ' ' LEU . 56.7 ttp -58.33 -39.44 79.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.506 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 38.7 mm -59.85 -39.9 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.508 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HA ' ' NZ ' ' A' ' 149' ' ' LYS . 98.4 mttt -64.67 -39.25 93.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -62.27 -39.81 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.478 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 144' ' ' MET . 3.6 mm? -62.58 -38.12 88.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.492 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' A' ' 146' ' ' LYS . 34.6 mtmm -65.96 -31.15 71.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.494 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -67.02 -53.69 28.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.486 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -68.03 -27.5 66.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.09 -42.39 98.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.501 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -64.25 -45.39 88.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.461 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.9 mt -67.56 -39.11 84.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.58 ' OE2' ' NE2' ' B' ' 223' ' ' GLN . 42.7 tp10 -65.29 -40.47 93.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.549 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -74.55 -42.08 59.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.553 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.54 -50.12 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.408 ' O ' HD23 ' A' ' 162' ' ' LEU . 63.8 mttp -60.87 -39.23 88.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.48 -47.52 83.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.01 -38.2 78.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.464 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.33 -42.74 99.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.457 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.6 mm? -60.82 -37.56 82.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.08 -45.59 92.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.18 -36.79 85.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.581 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 165' ' ' LEU . 82.9 mt -63.02 -36.94 85.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.447 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.655 ' HE ' ' CD1' ' B' ' 220' ' ' ILE . 16.9 mmt180 -66.06 -38.5 88.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.519 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -83.31 -18.93 37.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 23.0 t -86.41 -21.51 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -51.42 -66.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.533 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.28 -43.45 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.506 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 172' ' ' LYS . 68.5 tp60 -39.1 106.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 171' ' ' GLN . 52.7 tttm 38.68 54.74 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -64.81 -41.34 95.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.99 98.98 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.477 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 175' ' ' THR . 35.2 m -102.79 -14.92 16.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.532 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -172.23 -165.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.69 132.92 37.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.613 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.34 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 28.2 m -71.35 147.01 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.572 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.62 145.22 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.59 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.48 176.38 9.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.532 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -95.57 112.27 24.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.1 mt -124.64 127.1 72.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.46 ' O ' ' NH1' ' A' ' 166' ' ' ARG . 15.1 t -83.9 129.05 38.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.643 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . 0.552 ' C ' ' NH2' ' A' ' 166' ' ' ARG . 13.2 p -100.36 152.94 19.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.574 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.39 -39.55 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.596 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -63.18 -55.97 20.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -44.75 -34.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.548 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.655 ' CD1' ' HE ' ' A' ' 166' ' ' ARG . 87.7 mt -70.94 -43.81 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.639 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -60.34 -44.89 95.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.692 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -61.28 -29.21 69.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.6 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.58 ' NE2' ' OE2' ' A' ' 155' ' ' GLU . 62.0 tp60 -70.18 -41.15 74.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -69.91 -38.53 76.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.541 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.33 -40.25 89.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.568 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.56 -40.01 95.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 73.2 t -67.38 -42.63 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.622 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -58.16 -38.54 76.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -63.28 -42.45 99.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.81 -45.04 99.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.646 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -63.75 -42.09 97.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -54.52 -48.79 71.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.7 mttt -68.82 -57.39 5.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.577 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.5 tp -37.95 -49.98 1.28 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.575 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.87 -38.91 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.455 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' B' ' 233' ' ' LYS . 85.3 tt0 -60.25 -46.05 91.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.593 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.77 -22.59 67.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.489 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 86.2 mt -85.17 -31.43 23.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.505 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 240' ' ' ALA . 0.0 OUTLIER -84.08 -9.03 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.63 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -47.38 179.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.62 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 56.86 -70.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.598 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.63 ' N ' ' O ' ' B' ' 240' ' ' ALA . 94.2 mt -63.25 -43.45 98.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.618 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 3.3 tp 84.24 92.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.6 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.419 ' H ' ' HB3' ' B' ' 239' ' ' MET . 3.6 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.619 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.4 m -144.13 75.65 15.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -54.53 -37.0 90.28 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.902 2.401 . . . . 0.0 112.105 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -61.86 -39.78 93.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.485 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.41 -38.09 86.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.34 -35.84 81.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.41 -39.39 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -62.97 -37.88 88.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.1 ttp -63.8 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.5 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.04 -42.32 94.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.15 -42.59 88.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.64 -44.92 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.431 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.95 -36.76 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.509 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -63.46 -34.93 78.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.463 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.543 ' O ' ' NH1' ' A' ' 153' ' ' ARG . 95.4 mt-10 -63.35 -45.69 90.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.432 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.06 -22.75 60.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.494 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -47.32 84.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.492 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.577 ' CG ' ' N ' ' A' ' 154' ' ' LEU . 26.0 ptt-85 -64.07 -44.99 90.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 -179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.577 ' N ' ' CG ' ' A' ' 153' ' ' ARG . 91.2 mt -64.23 -40.89 96.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.519 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.624 ' O ' HD13 ' A' ' 159' ' ' LEU . 83.6 tt0 -61.48 -39.19 90.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.482 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -70.49 -41.97 71.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.462 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.87 -51.81 21.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.466 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.96 -40.7 85.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.528 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.4 mp -61.13 -50.3 73.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.5 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.44 -45.13 97.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 161' ' ' LEU . 96.0 mt -62.96 -43.01 99.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.495 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.656 HD11 HG21 ' B' ' 215' ' ' VAL . 55.9 tp -60.34 -40.38 90.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.524 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.27 -47.14 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.95 -38.9 83.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.537 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 165' ' ' LEU . 91.1 mt -62.49 -41.76 99.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.519 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.423 ' O ' ' CD1' ' A' ' 170' ' ' ILE . 77.3 ttt-85 -65.32 -44.49 87.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.566 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -59.83 -28.1 67.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.527 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.417 ' C ' ' N ' ' A' ' 170' ' ' ILE . 51.0 m -63.63 -52.79 59.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.495 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -51.46 -14.52 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.538 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 166' ' ' ARG . 2.6 mp -98.64 -37.63 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.554 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -70.33 131.79 44.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 23.0 pttp -84.3 146.91 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 172' ' ' LYS . 79.5 mm-40 36.18 63.15 0.63 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.13 144.46 57.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.514 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 90.6 m -94.69 127.87 40.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . -163.38 -45.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 176' ' ' ALA . 21.3 mp0 38.76 22.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 176' ' ' ALA . 46.6 tttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.596 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 84.0 p -74.67 156.62 36.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.53 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 19.8 pttp -82.15 135.51 35.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 67.97 59.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.52 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.585 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 54.5 p90 -72.75 120.75 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.625 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.4 mt -75.29 140.87 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.533 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.656 HG21 HD11 ' A' ' 162' ' ' LEU . 86.7 t -88.44 131.86 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.612 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 10.3 p -100.98 158.21 16.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.47 -39.7 94.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.58 -54.03 42.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.549 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -45.91 -36.42 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.604 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' B' ' 220' ' ' ILE . 34.7 mm -64.96 -44.05 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.601 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.73 -45.23 94.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -58.07 -36.36 72.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.605 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -68.7 -43.38 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.594 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -69.76 -41.0 75.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -61.43 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.571 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -61.82 -42.87 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.527 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.493 HG21 HD22 ' A' ' 159' ' ' LEU . 52.4 t -65.79 -42.61 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -58.83 -38.97 79.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.51 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -64.23 -44.26 92.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.605 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.17 -46.44 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -63.18 -42.19 99.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.85 -45.82 74.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.547 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' B' ' 236' ' ' GLU . 68.5 mttm -60.86 -61.61 2.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 89.2 mt -35.5 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.73 -41.13 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.521 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' B' ' 233' ' ' LYS . 98.6 mt-10 -58.25 -47.98 81.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -67.23 -26.85 66.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.72 -37.27 49.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.623 ' O ' ' C ' ' B' ' 240' ' ' ALA . 81.6 mmm -61.42 -50.19 73.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.548 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.623 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 18.99 51.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.573 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.609 ' N ' ' O ' ' B' ' 239' ' ' MET . 95.2 m-20 -75.29 -20.08 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.541 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.765 ' O ' HG23 ' B' ' 242' ' ' ILE . 21.3 tt -146.09 65.11 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.513 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' B' ' 242' ' ' ILE . 81.8 mt 38.39 33.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.471 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.488 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 1.5 m -152.83 51.85 0.79 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.542 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 137' ' ' SER . 30.9 Cg_endo -63.71 -23.22 69.68 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.875 2.383 . . . . 0.0 112.106 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -66.25 -35.28 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 51.8 tp10 -62.92 -42.58 99.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.563 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.4 -42.72 95.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.609 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.32 -40.09 85.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 61.8 ttp180 -59.79 -39.43 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.57 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 88.1 mmm -61.2 -41.27 96.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.04 -42.97 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.538 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -68.39 -45.23 73.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.491 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.38 -48.02 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.48 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 148' ' ' LEU . 92.4 mt -63.1 -34.54 77.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.418 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -64.32 -36.87 85.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -63.8 -44.84 92.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.518 -179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.05 -35.78 81.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.504 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.66 -40.76 88.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.499 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -67.39 -45.4 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -66.86 -42.67 85.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.493 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -63.89 -33.0 74.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -76.56 -42.32 43.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.75 -51.3 63.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.545 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -62.96 -37.94 89.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.2 -47.79 82.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.496 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.91 -46.34 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.473 179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.7 mt -63.34 -40.61 97.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.433 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.44 HD11 HG21 ' B' ' 215' ' ' VAL . 57.1 tp -60.55 -40.26 90.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.478 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.61 -44.48 96.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.59 -38.22 90.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.21 -39.37 94.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -43.93 95.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -77.11 -17.51 58.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.505 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 171' ' ' GLN . 5.1 m -90.1 -17.92 26.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.502 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -41.16 -43.02 2.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.53 -44.14 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.528 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 168' ' ' SER . 97.8 mm-40 -70.06 122.0 18.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.566 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -91.59 -83.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -89.71 -12.45 39.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.487 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.76 143.75 57.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 81.8 m -87.3 131.22 34.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.644 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 177' ' ' GLN . . . -63.83 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 176' ' ' ALA . 99.2 mm-40 36.84 76.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 177' ' ' GLN . 55.7 mtpt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.546 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . 0.494 ' O ' ' O ' ' B' ' 212' ' ' ALA . 34.8 m -59.29 -43.89 92.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' B' ' 210' ' ' SER . 62.7 mttp 36.24 -103.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.59 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 210' ' ' SER . . . -73.33 -176.88 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.49 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.6 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 20.6 p90 -151.01 75.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 34.1 mm -68.0 134.64 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 162' ' ' LEU . 48.3 t -107.45 136.53 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 50.5 p -105.61 157.13 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.8 -44.27 94.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.586 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.93 -14.3 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.573 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -80.41 -41.01 25.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.642 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.5 -39.52 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -65.07 -38.0 89.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.615 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . 0.4 ' HE2' HH21 ' B' ' 226' ' ' ARG . 88.1 tttt -79.66 -27.33 40.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -73.52 -35.29 65.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.661 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -69.94 -36.38 75.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.626 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.12 -40.29 95.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.48 ' O ' HG23 ' B' ' 230' ' ' VAL . 99.6 mtt180 -61.97 -41.2 97.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.593 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.06 -39.97 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.597 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.9 -37.61 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -69.67 -43.8 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.645 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . 0.48 HG23 ' O ' ' B' ' 226' ' ' ARG . 94.0 t -64.15 -43.84 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.568 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.465 ' NH1' ' OE2' ' B' ' 235' ' ' GLU . 77.3 ttt-85 -65.45 -40.66 93.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.5 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -53.14 -45.0 68.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.593 ' O ' ' N ' ' B' ' 236' ' ' GLU . 98.3 mttt -60.5 -60.77 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' B' ' 233' ' ' LYS . 12.2 mt -35.01 -43.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.551 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . 0.465 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 98.1 mt-10 -65.57 -40.01 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.501 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' B' ' 233' ' ' LYS . 70.6 mm-40 -61.08 -38.26 85.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.599 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -22.02 62.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.499 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' B' ' 242' ' ' ILE . 98.8 mt -85.37 -30.48 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.6 ' O ' ' O ' ' B' ' 240' ' ' ALA . 66.2 mtt -76.73 -6.59 52.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.53 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.6 ' O ' ' O ' ' B' ' 239' ' ' MET . . . -49.05 -116.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.785 ' O ' HG23 ' B' ' 242' ' ' ILE . 90.9 m-20 -60.96 -51.11 70.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.577 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.785 HG23 ' O ' ' B' ' 241' ' ' ASP . 1.2 pt -165.62 -85.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.478 ' H ' HG13 ' B' ' 242' ' ' ILE . 86.2 mt -124.04 104.32 8.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.565 179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.561 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.491 2.321 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 136' ' ' GLY . 3.9 p -27.37 92.89 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 0.0 110.539 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' GLY . 51.0 Cg_exo -53.8 -37.97 85.04 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.786 2.324 . . . . 0.0 112.161 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -64.99 -39.17 93.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.62 -39.23 93.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -61.77 -44.82 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.535 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -68.75 -37.12 79.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -60.78 -42.86 98.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.545 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.0 -40.45 93.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.56 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.451 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.88 -47.43 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.5 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.88 -41.11 91.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.2 tp -64.76 -37.77 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.436 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -61.16 -36.25 79.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.539 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.27 -50.8 66.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.478 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.28 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.14 -44.06 95.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.453 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -62.08 -40.9 97.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 154' ' ' LEU . 95.2 mt -65.15 -39.33 92.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.49 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -73.25 -42.11 62.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.71 -57.52 10.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.523 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -57.21 -39.04 74.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt -61.26 -50.48 72.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.457 -179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.77 -46.4 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.457 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.0 -42.08 98.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 162' ' ' LEU . 0.2 OUTLIER -56.48 -42.21 77.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.418 179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.85 -42.28 97.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -61.25 -36.82 81.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.51 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.5 -39.85 94.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.502 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.582 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 80.7 ttt180 -63.14 -42.31 99.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -78.84 -18.85 53.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.516 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 74.8 m -65.04 -33.07 75.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.566 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -69.65 -73.64 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.7 -44.37 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 54.11 -164.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 173' ' ' GLU . 65.4 mttp -48.17 147.8 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.495 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 173' ' ' GLU . 2.6 pm0 -36.76 149.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.528 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -63.23 148.31 48.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.44 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 85.6 m -61.34 -45.68 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -161.8 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -79.47 131.26 36.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.558 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 66.6 mttm . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.581 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 69.4 m -95.38 130.75 42.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.766 0.317 . . . . 0.0 110.57 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' B' ' 212' ' ' ALA . 98.3 mttt -64.14 -40.93 97.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.545 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 37.49 -160.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.56 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.571 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 83.7 t80 -123.86 58.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.648 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.3 mt -66.61 137.82 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.443 HG11 HD11 ' B' ' 220' ' ' ILE . 39.2 t -114.79 141.43 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.604 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 5.4 p -100.69 154.64 18.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.582 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 90.1 m-20 -62.72 -42.52 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.567 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -67.06 -53.86 27.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.596 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -44.83 -39.23 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.443 HD11 HG11 ' B' ' 215' ' ' VAL . 78.1 mt -68.01 -43.4 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.591 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.631 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . 0.454 ' HE3' HH21 ' B' ' 226' ' ' ARG . 43.0 tttp -59.97 -32.35 70.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.618 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 -68.66 -41.08 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.534 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.51 -37.04 79.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.523 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.67 -42.14 96.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.648 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.454 HH21 ' HE3' ' B' ' 222' ' ' LYS . 93.8 mtt-85 -61.41 -42.33 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.568 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 77.4 t -65.88 -41.68 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.52 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.579 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.81 -42.19 99.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.94 -43.99 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.543 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -63.56 -40.69 97.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.593 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -53.22 -48.47 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.55 -56.16 7.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.49 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 57.5 tp -39.68 -52.92 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.19 -39.12 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -54.84 -44.64 74.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.14 -21.74 63.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.516 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 238' ' ' LEU . 83.6 mt -81.5 -38.44 26.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.636 ' O ' ' N ' ' B' ' 241' ' ' ASP . 3.4 ttt -62.0 -51.81 66.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.545 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 22.73 44.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.567 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.636 ' N ' ' O ' ' B' ' 239' ' ' MET . 85.9 m-20 -96.08 -7.99 34.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.556 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.424 HG23 ' N ' ' B' ' 243' ' ' LEU . 20.8 tt -145.1 -36.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.52 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.644 ' C ' HD23 ' B' ' 243' ' ' LEU . 4.2 tt -79.62 -75.91 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.572 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.605 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.601 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -93.34 -45.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.573 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 137' ' ' SER . 48.7 Cg_exo -54.86 -36.66 91.97 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.696 2.264 . . . . 0.0 112.198 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.66 -37.69 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.552 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.87 -39.45 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.464 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -62.45 -42.86 99.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.33 -42.2 75.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -61.42 -42.57 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.566 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 67.0 ttp -61.56 -38.94 89.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.1 mm -63.58 -43.54 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.519 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -64.93 -47.01 79.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.485 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.19 -37.59 87.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.47 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 152' ' ' LEU . 53.5 tp -64.82 -41.3 95.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -58.52 -32.18 68.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.09 -48.57 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.433 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -60.08 -33.75 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 230' ' ' VAL . 3.3 mm? -59.5 -40.19 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.471 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -63.2 -45.57 91.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.1 mt -70.19 -39.77 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.459 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -63.93 -41.73 97.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.04 -43.46 61.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.99 -53.12 36.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.502 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -60.81 -38.95 87.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.521 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.657 HD21 ' OE1' ' B' ' 224' ' ' GLU . 58.8 tp -59.09 -50.35 74.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.06 -42.21 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.82 -45.48 93.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.444 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.9 -39.95 87.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.58 -47.72 84.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -63.34 -41.27 98.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.461 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 165' ' ' LEU . 94.5 mt -63.66 -42.22 98.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.536 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -64.45 -44.47 91.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.521 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.442 ' HA ' HD12 ' A' ' 170' ' ' ILE . 60.6 tt0 -65.06 -24.13 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.531 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 32.8 m -64.1 -48.23 76.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.513 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.86 -10.01 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.536 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 167' ' ' GLN . 91.2 mt -94.22 -53.46 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.574 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 173' ' ' GLU . 62.0 tt0 -81.49 124.48 29.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -61.52 -43.04 99.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.507 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.592 ' O ' ' NE2' ' A' ' 171' ' ' GLN . 85.6 tt0 -113.5 108.53 17.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.524 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -88.83 137.02 32.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.516 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 93.8 m -98.89 127.17 44.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 178' ' ' LYS . . . 178.24 -108.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.18 -89.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.489 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 176' ' ' ALA . 62.7 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.596 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . 0.46 ' O ' ' OG ' ' B' ' 210' ' ' SER . 0.9 OUTLIER 48.37 33.5 3.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.538 -179.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -89.99 -9.68 47.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.589 ' C ' ' CD1' ' B' ' 213' ' ' PHE . . . -98.8 -8.73 25.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 212' ' ' ALA . 13.3 p90 41.48 98.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.617 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.99 141.98 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.534 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.41 HG11 HD11 ' B' ' 220' ' ' ILE . 88.8 t -104.44 136.8 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.605 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 57.4 p -99.75 155.47 17.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.512 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' B' ' 217' ' ' ASP . 23.1 p-10 -62.47 -43.77 98.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.614 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -60.54 -52.64 64.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -46.43 -36.97 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.457 HD13 ' HA ' ' B' ' 220' ' ' ILE . 33.1 mm -68.36 -43.72 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.542 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -61.41 -46.63 89.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.649 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.78 -32.4 69.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.771 ' O ' HG23 ' B' ' 227' ' ' VAL . 87.1 mm-40 -73.74 -41.31 62.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.657 ' OE1' HD21 ' A' ' 159' ' ' LEU . 53.3 tp10 -71.91 -46.33 58.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.563 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -65.3 -43.92 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.573 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.4 ttt-85 -62.03 -43.83 98.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.572 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 223' ' ' GLN . 87.2 t -67.68 -41.34 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.596 -179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -60.15 -37.77 81.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -63.31 -40.45 97.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.614 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' A' ' 152' ' ' LEU . 59.2 t -63.32 -42.92 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.562 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -58.21 -41.93 85.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.514 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.01 -49.03 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.503 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.82 -19.48 64.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.561 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.507 ' C ' HD23 ' B' ' 234' ' ' LEU . 6.0 tt -75.53 -56.47 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.96 -32.97 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.31 -47.6 83.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -72.19 -22.67 61.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.438 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' B' ' 238' ' ' LEU . 60.1 tp -79.56 -36.56 38.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 98.6 mmm -79.08 -7.59 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.53 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' B' ' 244' ' ' SER . . . -64.45 -38.7 91.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.07 -53.28 48.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.39 -48.61 84.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 49.7 tp -67.18 -45.35 77.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.56 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.451 ' N ' ' O ' ' B' ' 240' ' ' ALA . 4.6 t . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.507 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -161.46 157.3 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.553 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.24 -21.07 48.59 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.797 2.331 . . . . 0.0 112.133 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -62.29 -36.67 82.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.538 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' C ' ' HE ' ' A' ' 141' ' ' ARG . 98.6 mt-10 -65.19 -42.76 93.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.549 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.738 ' HE ' ' N ' ' A' ' 141' ' ' ARG . 0.0 OUTLIER -65.92 -38.06 87.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.518 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -69.79 -35.44 74.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -60.78 -42.68 98.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.611 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.5 ttp -60.35 -40.97 92.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.18 -42.69 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.528 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -64.92 -42.43 94.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.494 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 66.1 tp60 -60.8 -40.79 93.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.467 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.96 -34.78 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.481 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.74 -34.54 78.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.51 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.86 -54.29 28.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.87 -28.47 69.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 152' ' ' LEU . 0.2 OUTLIER -59.9 -42.52 94.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.464 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.84 -45.04 95.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 84.0 mt -69.12 -40.78 78.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.448 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -65.49 -43.58 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.5 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -73.27 -45.67 54.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.39 -55.44 24.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -58.66 -40.03 82.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.547 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' B' ' 223' ' ' GLN . 52.8 tp -61.26 -48.1 83.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.84 -44.51 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.475 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 161' ' ' LEU . 3.4 tt -60.79 -42.16 97.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.465 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.69 -39.43 80.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.85 -46.09 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.583 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.8 -37.47 76.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.55 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 165' ' ' LEU . 94.1 mt -62.39 -39.01 91.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.487 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.476 HH12 ' HA ' ' B' ' 217' ' ' ASP . 12.3 tpt180 -66.44 -43.49 85.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -50.27 -37.83 37.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 65.0 p -67.44 -56.22 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.53 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -45.9 -28.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.516 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 170' ' ' ILE . 39.6 mm -74.27 -47.97 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.53 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 172' ' ' LYS . 56.2 tt0 -178.87 162.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.448 ' N ' ' HG2' ' A' ' 171' ' ' GLN . 99.0 mttt -74.09 143.66 45.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 3.8 pm0 -40.83 -39.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 173' ' ' GLU . . . 71.45 -149.27 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 175' ' ' THR . 54.9 m -100.8 -6.91 24.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.518 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -151.01 -153.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.56 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -86.03 -5.81 59.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.571 179.765 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 10.5 p -157.29 163.88 38.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.485 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -91.92 -9.43 43.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -80.31 168.78 18.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.53 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -98.06 111.19 23.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.606 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.4 mt -124.89 127.38 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.529 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 15.3 t -78.72 126.67 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.579 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 48.4 p -101.67 158.2 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.584 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.476 ' HA ' HH12 ' A' ' 166' ' ' ARG . 32.2 t70 -62.94 -42.15 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.616 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' B' ' 219' ' ' ASP . 9.3 pt-20 -61.81 -54.36 43.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.568 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.453 ' N ' ' CG ' ' B' ' 218' ' ' GLU . 38.6 t70 -45.58 -36.72 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' B' ' 220' ' ' ILE . 32.9 mm -67.11 -43.72 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.634 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . 0.581 ' NE ' ' OE2' ' B' ' 225' ' ' GLU . 58.3 ttt85 -60.54 -45.42 93.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.38 -32.36 71.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.606 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.42 ' HB3' HD13 ' A' ' 159' ' ' LEU . 15.3 mm100 -71.73 -43.0 66.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.631 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -68.66 -43.82 75.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.534 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . 0.581 ' OE2' ' NE ' ' B' ' 221' ' ' ARG . 96.8 mt-10 -65.31 -42.12 93.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -60.54 -44.86 95.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.02 -42.25 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.624 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -56.35 -37.79 70.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.638 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -63.39 -43.38 97.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.54 -45.16 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.96 -41.81 99.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . 0.571 ' NZ ' ' OE2' ' B' ' 236' ' ' GLU . 64.9 tttm -58.08 -50.03 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.507 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.569 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 53.4 tp -78.4 -49.77 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.511 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -64.26 -36.32 83.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.445 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.571 ' OE2' ' NZ ' ' B' ' 232' ' ' LYS . 94.0 mt-10 -59.35 -47.51 85.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.475 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -61.82 -25.77 67.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.553 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.6 mt -83.39 -30.77 27.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 97.1 mtp -96.53 -8.98 30.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.588 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' B' ' 236' ' ' GLU . . . -57.32 133.79 55.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.551 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.64 ' C ' ' H ' ' B' ' 243' ' ' LEU . 94.1 m-20 44.38 28.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.547 HG22 ' O ' ' B' ' 242' ' ' ILE . 88.4 mt 58.54 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.64 ' H ' ' C ' ' B' ' 241' ' ' ASP . 54.0 tp -155.04 110.35 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.552 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.428 ' OXT' ' O ' ' B' ' 243' ' ' LEU . 1.4 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.449 ' C ' ' HG ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.449 ' HG ' ' C ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER 70.65 153.09 0.14 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.548 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.79 -21.04 45.19 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.746 2.298 . . . . 0.0 112.127 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -64.96 -41.67 95.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.484 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.99 -39.67 83.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -62.3 -41.77 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.542 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.84 -41.65 91.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.664 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -60.23 -40.24 89.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.585 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.723 ' O ' HD13 ' A' ' 148' ' ' LEU . 88.8 mmm -55.51 -44.35 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.496 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.99 -41.35 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.498 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -65.3 -45.31 84.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.475 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -65.18 -42.84 93.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.463 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 144' ' ' MET . 7.0 mp -62.61 -33.03 74.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.437 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.489 ' HE2' HD12 ' B' ' 234' ' ' LEU . 52.8 mmtt -62.27 -36.07 80.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.5 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.21 -52.85 56.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.445 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.81 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.46 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.39 -46.99 87.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.19 -45.18 89.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.484 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.03 -42.06 90.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' B' ' 226' ' ' ARG . 84.3 tt0 -61.19 -40.71 94.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.509 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.422 ' OE2' ' NH2' ' B' ' 231' ' ' ARG . 97.4 mt-10 -72.57 -40.93 66.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.34 -50.82 49.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.73 -38.54 85.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.49 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.34 -48.52 81.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.494 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.95 -41.81 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.465 178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.86 -42.8 99.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.454 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 162' ' ' LEU . 83.1 mt -58.29 -39.95 80.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.437 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -42.26 99.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -64.29 -35.39 80.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.504 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.63 -40.28 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.479 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -61.64 -38.47 87.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.514 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -78.1 -16.65 57.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.57 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 72.0 m -84.4 -17.25 39.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.483 -179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.53 -7.79 59.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.614 ' C ' ' H ' ' A' ' 172' ' ' LYS . 89.2 mt -63.59 -43.11 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.525 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 66.12 -33.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.513 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.614 ' H ' ' C ' ' A' ' 170' ' ' ILE . 67.6 mttm -79.66 137.31 37.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.524 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 174' ' ' ALA . 79.7 mm-40 -142.46 -45.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.485 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.569 ' C ' ' H ' ' A' ' 176' ' ' ALA . . . 173.84 -29.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.471 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 4.1 m 67.15 -14.03 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' A' ' 174' ' ' ALA . . . -167.08 128.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.657 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 178' ' ' LYS . 14.6 pt20 -152.4 15.98 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.522 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 177' ' ' GLN . 68.0 mttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 46.3 t -66.23 152.82 44.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.485 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.707 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 69.7 mmtt -64.96 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 83.64 165.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.445 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 57.5 t80 56.08 84.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.626 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.83 152.91 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.629 HG11 HD11 ' B' ' 220' ' ' ILE . 45.7 t -110.24 137.41 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.7 p -101.08 160.15 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.3 -38.88 88.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.581 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.481 ' HA ' ' HE ' ' B' ' 221' ' ' ARG . 80.1 tt0 -62.54 -55.04 31.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -48.33 -36.61 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.629 HD11 HG11 ' B' ' 215' ' ' VAL . 34.1 mm -64.95 -44.64 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.623 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . 0.481 ' HE ' ' HA ' ' B' ' 218' ' ' GLU . 88.7 mtm180 -64.71 -43.36 93.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.701 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.07 -33.92 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -73.41 -43.19 60.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.614 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -71.3 -44.01 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.6 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.9 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.659 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 155' ' ' GLU . 64.7 ttp85 -61.43 -42.0 98.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.607 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 38.4 t -65.5 -39.75 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.9 -31.66 70.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -69.55 -40.8 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.559 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.85 -44.52 98.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.422 ' NH2' ' OE2' ' A' ' 156' ' ' GLU . 18.5 tpp180 -53.83 -44.69 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.558 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.29 -59.29 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.507 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.87 -22.13 9.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.488 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.489 HD12 ' HE2' ' A' ' 149' ' ' LYS . 2.3 mm? -82.64 -52.45 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.525 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.61 -40.56 97.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.458 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.1 -58.63 7.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.591 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.26 -28.38 69.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.521 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.21 -43.89 73.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.556 ' O ' ' C ' ' B' ' 240' ' ' ALA . 54.7 mtt -59.66 -47.74 84.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.556 ' C ' ' O ' ' B' ' 239' ' ' MET . . . 27.25 -122.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.612 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -61.65 -38.49 87.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.611 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.648 HG23 ' N ' ' B' ' 243' ' ' LEU . 19.6 tt -167.33 -49.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.586 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.648 ' N ' HG23 ' B' ' 242' ' ' ILE . 4.2 tt -175.26 93.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.52 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.405 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 58.3 m -144.17 57.12 4.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 0.0 110.541 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.5 Cg_endo -66.21 -20.16 56.14 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.826 2.35 . . . . 0.0 112.146 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.84 -37.13 85.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.546 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.87 -40.83 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.508 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -68.49 -42.04 79.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.569 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -62.34 -38.36 89.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.624 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.62 ' O ' HD13 ' A' ' 148' ' ' LEU . 92.4 mtp -63.8 -39.0 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.481 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.39 -42.91 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.65 -39.67 94.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.501 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -64.29 -38.17 90.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.455 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.62 HD13 ' O ' ' A' ' 144' ' ' MET . 7.3 mp -65.56 -35.1 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -63.63 -34.25 77.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.85 -50.19 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.488 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.14 -32.58 74.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.569 HD21 ' CG1' ' B' ' 230' ' ' VAL . 32.2 mt -61.06 -41.72 97.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.531 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -65.22 -45.47 84.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.403 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 154' ' ' LEU . 93.7 mt -66.96 -41.4 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.457 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -64.27 -36.24 83.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -76.01 -43.87 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.475 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.82 -51.11 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.543 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 -36.2 76.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.471 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 159' ' ' LEU . 0.2 OUTLIER -57.68 -48.78 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.0 -44.81 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.479 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.431 HD13 HE22 ' B' ' 223' ' ' GLN . 91.1 mt -60.79 -42.26 97.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.476 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.54 -48.21 82.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.565 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -61.15 -35.47 77.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.5 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.407 ' O ' ' OG ' ' A' ' 168' ' ' SER . 58.1 tp -63.6 -41.96 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.484 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -61.98 -41.37 97.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.603 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 171' ' ' GLN . 59.6 tt0 -78.88 -19.22 52.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.552 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 52.1 p -62.52 -36.96 84.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -63.57 -73.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.582 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 95.9 mt -48.17 -43.91 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 167' ' ' GLN . 65.3 tp60 -58.86 129.06 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.514 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 173' ' ' GLU . 99.0 mttt -75.91 146.38 39.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.498 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 172' ' ' LYS . 46.8 mt-10 34.14 65.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 175' ' ' THR . . . -89.1 -11.71 43.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.513 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 174' ' ' ALA . 38.2 m 35.33 86.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -91.7 107.82 19.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -97.11 -3.26 41.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.562 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 78.5 p -85.26 -5.79 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.775 0.321 . . . . 0.0 110.522 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -88.71 -3.55 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . 60.06 99.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -114.07 131.26 56.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 36.4 mm -82.44 152.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 94.4 t -83.07 128.73 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.588 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 43.4 p -99.67 157.22 16.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.496 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.53 -39.33 91.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.558 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.585 ' OE2' ' NH2' ' B' ' 221' ' ' ARG . 51.5 tp10 -64.26 -54.71 29.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.561 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -47.64 -34.05 7.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.529 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 5.6 mm -68.1 -43.89 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.566 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . 0.585 ' NH2' ' OE2' ' B' ' 218' ' ' GLU . 62.0 ttp180 -63.33 -44.09 95.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.636 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.21 -31.3 65.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 162' ' ' LEU . 85.3 mt-30 -72.92 -38.87 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.548 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -70.4 -42.26 71.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.608 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -63.99 -42.06 97.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.642 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.634 ' O ' HG23 ' B' ' 230' ' ' VAL . 76.0 ttt180 -61.25 -45.23 95.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 55.0 t -68.23 -40.21 82.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -62.52 -40.71 97.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.593 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -66.88 -41.0 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 226' ' ' ARG . 75.7 t -64.6 -42.01 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.605 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -57.18 -42.79 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.511 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -53.75 -53.75 47.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.491 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.76 -21.98 66.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.54 HD13 ' O ' ' B' ' 234' ' ' LEU . 0.2 OUTLIER -76.43 -58.13 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 -179.646 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -64.86 -39.72 94.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.553 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -60.8 -45.43 94.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.541 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.78 67.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.49 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.46 -28.86 26.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.505 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 99.6 mtp -83.17 -9.12 59.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.545 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.7 93.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -63.81 -42.48 97.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.52 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.595 HG22 ' O ' ' B' ' 242' ' ' ILE . 96.1 mt -83.43 -4.47 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.484 HD13 ' C ' ' B' ' 243' ' ' LEU . 0.2 OUTLIER 58.2 87.94 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.597 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.633 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.0 OUTLIER -68.56 -42.44 26.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.53 -179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 137' ' ' SER . 44.1 Cg_exo -55.59 -35.68 93.17 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.887 2.392 . . . . 0.0 112.079 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.12 -41.84 94.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.572 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' OE1' ' NH2' ' A' ' 143' ' ' ARG . 52.7 tp10 -65.97 -39.2 90.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.32 -43.08 96.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.587 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.78 -42.96 80.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' NH2' ' OE1' ' A' ' 140' ' ' GLU . 88.4 mtm180 -62.15 -39.68 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.56 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.2 mtp -61.66 -41.72 97.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.479 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -42.78 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.497 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -65.85 -44.47 85.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -64.29 -36.53 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 148' ' ' LEU . 38.3 mt -63.85 -39.13 93.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.412 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.32 -28.5 69.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.457 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.65 -56.2 10.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.39 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -67.9 -29.09 68.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -62.67 -42.87 99.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 154' ' ' LEU . 93.7 mt -66.9 -41.31 87.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -63.49 -39.01 93.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.489 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -72.48 -45.86 57.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.643 ' O ' HD13 ' A' ' 161' ' ' LEU . . . -49.14 -52.87 23.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.526 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -59.25 -39.63 83.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.16 -49.11 78.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.52 -42.46 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.483 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.643 HD13 ' O ' ' A' ' 157' ' ' ALA . 7.8 mp -61.71 -41.82 98.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 49.0 mt -56.4 -36.57 69.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.397 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -60.74 -41.16 94.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.41 -36.64 82.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.49 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 165' ' ' LEU . 4.1 mm? -61.13 -39.86 91.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.557 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -63.69 -39.49 94.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -81.6 -17.61 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.519 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 60.2 p -65.59 -35.07 79.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.511 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -50.75 -71.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.5 ' O ' ' O ' ' A' ' 171' ' ' GLN . 93.7 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 178.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.5 ' O ' ' O ' ' A' ' 170' ' ' ILE . 50.8 tt0 55.67 153.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -74.4 -173.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.587 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' A' ' 175' ' ' THR . 81.5 tt0 -64.62 -39.03 92.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.582 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 173' ' ' GLU . . . 37.06 -91.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.541 ' N ' ' O ' ' A' ' 173' ' ' GLU . 19.0 m 50.53 100.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.62 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 175' ' ' THR . . . 71.2 -23.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.54 ' H ' ' C ' ' A' ' 175' ' ' THR . 85.6 mt-30 -95.16 144.06 26.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 47.7 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.568 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 25.3 p -76.84 163.7 26.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.767 0.317 . . . . 0.0 110.503 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -92.96 122.39 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -123.44 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.523 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 65.1 t80 -109.98 116.54 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 98.3 mt -122.47 124.51 70.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 63.7 t -98.47 130.73 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 56.5 p -98.67 160.22 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' B' ' 217' ' ' ASP . 22.9 p-10 -63.92 -37.06 86.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.596 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -50.89 70.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -49.12 -32.73 10.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.585 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 49.1 mm -65.83 -46.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.574 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -68.34 -51.47 44.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.666 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -51.57 -34.76 38.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.617 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -73.86 -38.13 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -71.26 -39.83 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.652 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -61.85 -40.83 96.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.599 -179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -63.49 -41.37 98.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 75.9 t -67.53 -41.92 86.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.72 -40.27 87.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.572 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -64.47 -41.37 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.52 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 59.0 t -64.16 -43.91 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.583 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.92 -42.3 99.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.46 -48.94 73.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -74.92 -16.48 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.52 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 51.9 tp -76.55 -54.03 7.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.543 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.77 -46.14 84.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.73 -23.64 66.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 20.8 mt -83.35 -33.35 25.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.515 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 66.4 mtt -80.23 -9.11 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.548 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -80.85 -19.45 44.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.78 -38.13 89.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.555 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.433 HG23 ' O ' ' B' ' 242' ' ' ILE . 2.9 tp -94.91 15.6 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.483 ' N ' HD12 ' B' ' 243' ' ' LEU . 11.3 mp 50.7 71.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.481 ' O ' ' OE1' ' A' ' 140' ' ' GLU . 0.7 OUTLIER -41.67 155.66 0.23 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.939 0.399 . . . . 0.0 110.542 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.507 ' O ' ' OE1' ' A' ' 142' ' ' GLU . 31.3 Cg_endo -63.87 -21.76 69.02 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.854 2.369 . . . . 0.0 112.133 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.11 -41.05 97.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.474 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.481 ' OE1' ' O ' ' A' ' 137' ' ' SER . 58.7 mp0 -64.05 -31.89 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.71 -43.83 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 138' ' ' PRO . 8.6 mp0 -71.14 -34.41 71.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 -61.96 -41.97 98.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 92.5 mtp -63.07 -40.27 97.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 145' ' ' ILE . 35.5 mm -62.36 -43.11 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.3 -43.24 82.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -64.38 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.34 -26.96 68.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.437 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -64.54 -41.6 96.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.505 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -65.38 -54.11 33.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.17 -32.27 69.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.457 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' LEU . 57.9 tp -61.05 -45.4 94.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.55 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -63.43 -42.75 98.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.451 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.06 -39.23 86.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.507 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.47 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.3 tp10 -63.19 -40.97 99.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.506 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.74 -41.96 74.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -47.27 -50.84 20.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -58.32 -40.82 83.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.45 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.56 HD11 ' CB ' ' B' ' 223' ' ' GLN . 3.9 mm? -60.59 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.531 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.47 -45.85 96.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.5 -44.03 95.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.676 HD11 HG21 ' B' ' 215' ' ' VAL . 52.7 tp -58.49 -40.53 83.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.478 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.63 -43.77 89.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -59.92 -37.62 79.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.493 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 55.8 tp -62.19 -42.57 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.47 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -62.04 -43.85 97.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 170' ' ' ILE . 27.8 mt-30 -64.56 -22.35 66.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.5 t -66.95 -53.44 31.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.475 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.53 -11.03 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 167' ' ' GLN . 96.4 mt -92.38 -46.9 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.492 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.488 ' HG3' HG22 ' A' ' 170' ' ' ILE . 93.1 mt-30 -148.99 102.62 3.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.493 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -63.54 -39.68 95.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.63 117.23 30.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.98 -0.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 3.1 m -71.22 -1.65 13.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.605 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.76 88.21 7.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.673 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.422 ' O ' ' OXT' ' A' ' 178' ' ' LYS . 97.7 mm-40 -86.99 -7.92 57.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.542 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.422 ' OXT' ' O ' ' A' ' 177' ' ' GLN . 98.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.542 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . 0.483 ' O ' ' O ' ' B' ' 211' ' ' LYS . 1.3 m 45.95 30.06 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.481 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.483 ' O ' ' O ' ' B' ' 210' ' ' SER . 67.3 mttm 37.93 -161.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 38.75 52.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.594 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 86.4 t80 -176.03 25.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.598 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 41.0 mm -82.76 152.32 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.509 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 162' ' ' LEU . 91.0 t -84.66 132.21 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 9.0 p -101.3 155.45 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.533 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.6 -41.67 98.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.55 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -65.64 -55.74 15.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -42.83 -36.84 1.61 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 91.6 mt -67.29 -42.74 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.526 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -59.08 -45.21 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.632 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -60.68 -34.13 73.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.595 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.56 ' CB ' HD11 ' A' ' 159' ' ' LEU . 96.7 mt-30 -67.36 -44.14 79.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.568 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -70.92 -35.97 72.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.17 -42.74 95.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.482 HH21 ' HG2' ' B' ' 223' ' ' GLN . 87.4 mtm180 -62.91 -38.88 92.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.4 t -67.37 -43.05 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.626 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.64 -38.96 82.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -61.34 -40.49 94.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.525 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.93 -43.9 99.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.546 ' O ' ' OE1' ' B' ' 235' ' ' GLU . 78.3 ttt-85 -60.13 -41.89 93.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -52.0 -45.27 64.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.8 mttm -67.8 -59.27 3.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.529 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' B' ' 233' ' ' LYS . 98.3 mt -37.64 -51.55 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' B' ' 235' ' ' GLU . 8.4 mp0 -66.47 -38.44 87.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' B' ' 233' ' ' LYS . 45.1 tt0 -60.63 -47.5 85.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.582 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.02 -22.82 67.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.447 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.54 -31.76 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.488 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 62.0 ttp -77.84 -12.22 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.504 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.661 ' HB1' ' N ' ' B' ' 244' ' ' SER . . . -68.49 72.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.34 -8.04 16.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.596 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.782 ' O ' HG23 ' B' ' 242' ' ' ILE . 20.1 tt -146.61 61.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' B' ' 244' ' ' SER . 4.2 mm? 57.87 17.17 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.661 ' N ' ' HB1' ' B' ' 240' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.457 ' CB ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -167.93 176.88 1.45 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.591 179.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.457 ' CD ' ' CB ' ' A' ' 137' ' ' SER . 31.2 Cg_exo -57.95 -28.77 84.23 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.824 2.35 . . . . 0.0 112.096 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.541 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.57 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.566 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -65.3 -39.36 92.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.596 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -59.76 -39.98 86.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.656 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.35 -47.74 84.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 64.2 ttp -45.46 -46.62 13.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.498 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.06 -40.93 90.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.466 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.33 -42.75 92.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.435 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.63 -38.46 81.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.468 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.47 -38.11 88.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.44 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.39 -30.06 71.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -66.83 -49.65 65.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.74 -27.91 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.472 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.95 -42.47 99.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.522 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -63.97 -44.57 92.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.505 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.97 -39.35 79.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.509 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.497 ' O ' HD23 ' A' ' 159' ' ' LEU . 51.6 tp10 -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.453 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.52 -39.1 70.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.471 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -49.13 -50.21 38.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -59.11 -43.13 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.396 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.527 HD21 ' HB3' ' B' ' 223' ' ' GLN . 3.8 mm? -58.47 -46.81 85.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.12 -43.17 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.87 -42.41 99.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.495 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.35 -38.66 87.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.489 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -59.83 -46.83 88.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.477 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.534 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.26 -45.23 94.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.512 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -62.15 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.582 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -65.32 -25.08 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.564 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 170' ' ' ILE . 15.2 m -61.42 -44.47 97.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.497 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -53.44 -7.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.486 ' H ' ' C ' ' A' ' 168' ' ' SER . 27.4 mm -91.13 -39.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.548 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 174' ' ' ALA . 67.9 tp60 -154.51 115.64 4.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.42 -95.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.477 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 174' ' ' ALA . 80.9 tt0 -104.66 -59.23 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.511 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' A' ' 173' ' ' GLU . . . 57.73 140.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 22.4 m -64.46 127.78 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.541 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -135.96 43.55 2.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.605 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -92.23 147.8 22.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.527 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 44.0 tttm . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.654 179.8 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 92.2 p -61.73 -29.54 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 110.527 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.526 ' O ' ' O ' ' B' ' 212' ' ' ALA . 87.9 tttt -73.77 134.36 43.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.511 -179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.526 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 40.62 -169.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.507 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 70.4 t80 -110.87 56.6 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.2 mt -71.41 150.91 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.581 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 51.9 t -104.77 137.19 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 68.2 p -130.15 161.03 32.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.568 ' O ' ' N ' ' B' ' 220' ' ' ILE . 33.9 t70 -57.64 -61.08 2.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.574 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' B' ' 217' ' ' ASP . 79.2 mt-10 -34.35 -35.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 217' ' ' ASP . 89.5 m-20 -76.08 -41.57 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' B' ' 217' ' ' ASP . 43.1 mm -67.01 -43.03 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -56.24 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -48.72 -37.81 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.681 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.744 HE22 ' NH2' ' B' ' 226' ' ' ARG . 93.2 mm-40 -68.16 -41.76 81.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -70.64 -30.47 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.53 -43.17 97.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.569 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.744 ' NH2' HE22 ' B' ' 223' ' ' GLN . 77.1 mtm180 -62.42 -42.36 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.41 -41.5 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.617 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.66 -41.49 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.96 -40.41 96.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.51 -44.94 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.541 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.77 -37.34 84.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -56.25 -51.35 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.524 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' B' ' 236' ' ' GLU . 67.4 mttm -74.65 -55.85 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.518 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' B' ' 233' ' ' LYS . 57.2 tp -38.23 -53.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.535 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -65.17 -39.12 92.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.491 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 233' ' ' LYS . 53.2 tp10 -57.51 -47.02 83.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.503 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -62.26 -23.43 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.456 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' B' ' 238' ' ' LEU . 96.6 mt -85.64 -31.36 22.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 88.6 mmm -60.46 -40.95 93.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.522 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.527 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.555 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.52 ' OD1' ' O ' ' B' ' 241' ' ' ASP . 43.8 t0 45.56 14.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.604 HG23 ' N ' ' B' ' 243' ' ' LEU . 21.4 tt -136.44 -46.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.604 ' N ' HG23 ' B' ' 242' ' ' ILE . 54.2 tp -127.75 -73.33 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 2.0 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.523 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -69.99 -60.65 3.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.576 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 137' ' ' SER . 33.6 Cg_endo -63.87 -22.79 68.8 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.76 2.307 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.12 -40.5 94.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -62.56 -38.43 90.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.588 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 82.2 mtp180 -64.91 -40.88 95.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.77 -33.97 76.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -58.64 -43.98 89.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 76.8 mmm -57.7 -40.53 79.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 39.5 mm -62.53 -45.51 98.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.18 -38.78 92.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.416 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -61.71 -38.83 89.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.2 -36.67 84.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.94 -32.69 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.493 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.16 -53.89 32.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.51 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.23 -29.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.464 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.14 -45.36 93.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.528 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -63.15 -43.82 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.474 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 154' ' ' LEU . 98.0 mt -65.21 -41.62 94.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.41 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HB3' HG22 ' B' ' 227' ' ' VAL . 92.9 mt-10 -63.81 -39.8 95.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.522 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -72.44 -43.38 63.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -50.8 -50.25 56.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.518 ' O ' HD13 ' A' ' 162' ' ' LEU . 70.0 mmtt -59.56 -42.17 91.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.545 HD11 HG21 ' B' ' 227' ' ' VAL . 61.8 mt -57.52 -47.28 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.57 -41.95 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.524 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.94 -44.14 97.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 158' ' ' LYS . 7.7 mp -61.19 -39.14 89.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.438 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.475 ' HA ' ' HE ' ' A' ' 166' ' ' ARG . 42.8 tttp -61.61 -48.19 82.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.456 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -63.48 -37.13 86.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 165' ' ' LEU . 46.4 mt -61.21 -41.09 96.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.523 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.475 ' HE ' ' HA ' ' A' ' 163' ' ' LYS . 87.1 mtm180 -63.06 -37.97 89.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.525 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 170' ' ' ILE . 51.9 tt0 -60.41 -25.57 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 53.1 p -71.9 -57.47 4.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.406 ' N ' ' OG ' ' A' ' 168' ' ' SER . 96.3 mm-40 -49.32 -16.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.485 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 167' ' ' GLN . 91.0 mt -84.05 -39.27 14.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.523 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.4 mt-30 57.33 110.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.549 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -68.37 133.75 49.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.586 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -148.01 -42.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -151.24 26.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 96.8 m -100.11 84.72 2.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.641 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -97.54 -10.4 25.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -76.52 137.3 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.61 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 5.3 m -82.79 129.05 34.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 0.0 110.559 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 72.4 mmtt -95.11 -5.3 44.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.568 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 70.04 15.72 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.586 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.553 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 84.5 t80 -103.89 55.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.08 138.28 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.479 HG11 HD11 ' B' ' 220' ' ' ILE . 46.0 t -111.42 140.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 71.7 p -116.66 159.04 22.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.54 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' B' ' 219' ' ' ASP . 23.3 p-10 -65.32 -63.33 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.536 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.48 ' H ' ' CG ' ' B' ' 217' ' ' ASP . 97.3 mt-10 -37.96 -23.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.655 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.587 ' N ' ' O ' ' B' ' 217' ' ' ASP . 32.4 t70 -85.35 -40.51 16.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.551 ' N ' ' O ' ' B' ' 217' ' ' ASP . 90.3 mt -78.0 -42.77 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.658 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . 0.451 HH21 ' HG3' ' B' ' 218' ' ' GLU . 87.9 mtm180 -59.57 -48.88 79.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -66.38 -28.25 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.587 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -70.32 -41.74 72.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -69.44 -37.05 77.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -61.75 -39.87 93.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.537 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -63.4 -42.78 98.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.618 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.545 HG21 HD11 ' A' ' 159' ' ' LEU . 58.1 t -66.94 -41.15 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.633 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -58.62 -37.83 76.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.586 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.97 -41.36 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.76 -43.12 98.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.584 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.78 -41.54 99.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.81 -51.7 67.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.546 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -70.48 -16.44 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.538 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.621 ' O ' HD13 ' B' ' 238' ' ' LEU . 53.0 tp -76.1 -53.82 7.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -64.98 -33.98 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.5 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -59.64 -47.38 85.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -64.19 -24.66 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.487 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.621 HD13 ' O ' ' B' ' 234' ' ' LEU . 7.3 mp -81.36 -32.49 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.561 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.3 ttm -57.6 -42.7 83.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.534 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -57.88 149.02 23.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.596 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' B' ' 243' ' ' LEU . 53.5 t0 -55.7 76.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.602 ' N ' ' O ' ' B' ' 240' ' ' ALA . 44.2 pt 36.63 23.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.627 ' N ' ' O ' ' B' ' 241' ' ' ASP . 52.3 tp -86.55 -19.8 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.588 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 1.1 t . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.566 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.29 153.79 1.05 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.618 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -64.62 -19.7 64.97 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.841 2.36 . . . . 0.0 112.157 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.531 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -65.3 -43.87 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.459 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' H ' ' HD2' ' A' ' 141' ' ' ARG . 3.8 mpt_? -66.58 -39.36 88.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.567 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -67.36 -41.74 84.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.613 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -58.72 -37.87 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 93.8 mtp -60.44 -39.85 88.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.423 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.614 HG22 ' HZ3' ' A' ' 149' ' ' LYS . 82.4 mt -61.55 -42.75 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.546 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -63.67 -43.24 97.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.56 -39.34 93.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.469 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.18 -34.09 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.415 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.614 ' HZ3' HG22 ' A' ' 145' ' ' ILE . 46.7 mttp -64.29 -34.25 77.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.483 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.48 -54.21 31.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.48 -30.32 71.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.435 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.04 -44.76 96.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.6 -45.27 91.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.76 -41.06 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.426 ' OE2' ' NH2' ' B' ' 226' ' ' ARG . 42.1 tp10 -61.73 -39.19 90.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.458 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.95 -40.53 60.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.35 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.501 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -61.22 -37.44 83.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.538 HD21 ' OE2' ' B' ' 224' ' ' GLU . 59.3 tp -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.471 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 83.2 t -58.77 -38.87 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.55 -45.09 95.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.468 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.36 -40.02 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.13 -46.81 88.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.526 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.38 -41.01 98.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 165' ' ' LEU . 95.9 mt -62.56 -41.9 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.448 ' NH1' HG21 ' B' ' 220' ' ' ILE . 62.4 ttp180 -64.8 -42.62 94.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.405 ' O ' ' HB ' ' A' ' 170' ' ' ILE . 59.1 tt0 -63.64 -22.49 66.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.525 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.548 ' C ' ' H ' ' A' ' 170' ' ' ILE . 22.3 p -67.88 -53.98 22.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.541 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -48.46 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.535 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.548 ' H ' ' C ' ' A' ' 168' ' ' SER . 38.3 mm -64.51 -44.28 96.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 173' ' ' GLU . 85.7 mt-30 50.88 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.51 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt 39.7 28.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.532 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 171' ' ' GLN . 81.2 tt0 -160.91 120.36 2.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.65 142.57 57.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.509 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.709 ' O ' ' HB3' ' A' ' 176' ' ' ALA . 2.9 m -93.3 -1.62 55.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.595 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' A' ' 175' ' ' THR . . . 83.07 -66.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -92.35 126.75 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.538 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.52 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 58.0 m -131.62 153.66 49.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.546 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.703 ' O ' ' HB3' ' B' ' 212' ' ' ALA . 65.2 mttp -91.86 -10.74 38.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.615 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' B' ' 211' ' ' LYS . . . 83.05 14.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -94.63 107.19 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.8 mt -124.28 127.8 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.574 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 78.1 t -88.72 127.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.636 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 35.3 p -99.51 162.85 12.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.573 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.59 -39.63 94.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.575 -179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.04 -52.97 52.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -45.38 -35.64 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.623 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.448 HG21 ' NH1' ' A' ' 166' ' ' ARG . 36.7 mm -68.24 -43.93 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.64 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -59.51 -43.93 93.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.82 -32.28 70.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.58 ' O ' HG23 ' B' ' 227' ' ' VAL . 96.0 mm-40 -74.18 -40.52 62.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.629 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.538 ' OE2' HD21 ' A' ' 159' ' ' LEU . 79.9 mm-40 -70.93 -44.21 66.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.666 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -68.72 -41.69 78.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.606 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . 0.426 ' NH2' ' OE2' ' A' ' 155' ' ' GLU . 65.6 ttp85 -63.68 -44.74 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.62 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 223' ' ' GLN . 78.4 t -68.07 -42.14 84.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . 0.564 HE22 ' NH2' ' B' ' 231' ' ' ARG . 11.6 tp-100 -57.3 -41.01 79.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.523 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.68 -44.01 94.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -46.45 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.564 ' NH2' HE22 ' B' ' 228' ' ' GLN . 62.5 ttp180 -67.09 -41.82 85.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -56.73 -47.24 80.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.55 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' B' ' 236' ' ' GLU . 54.4 mtpt -63.75 -60.23 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.511 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 233' ' ' LYS . 55.4 tp -36.13 -42.36 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.592 179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.98 -39.32 93.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.474 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' B' ' 233' ' ' LYS . 79.3 mm-40 -60.11 -43.79 95.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.99 67.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.73 -29.98 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.473 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 52.3 ttp -80.33 -13.8 58.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -63.76 138.09 58.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -83.48 -4.3 58.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.533 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 3.5 tp -97.47 -3.2 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 243' ' ' LEU . 49.5 tp 48.78 79.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.639 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.574 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.8 m 42.95 72.97 1.01 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.581 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.07 -30.76 80.12 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.77 -28.53 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.495 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -60.99 -42.29 98.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.594 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -65.68 -40.01 91.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.505 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -70.56 -27.68 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.562 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -62.1 -44.63 96.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 45.8 mtm -62.31 -40.64 96.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.471 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.7 mm -62.69 -43.98 99.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.525 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -66.83 -44.76 80.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.465 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.36 -45.9 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.443 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.8 -35.14 78.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -65.1 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -63.68 -47.56 80.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.482 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.82 -32.38 73.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.472 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.17 -42.01 97.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.5 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -66.52 -43.23 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.445 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 154' ' ' LEU . 97.5 mt -67.78 -41.18 83.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -65.09 -33.89 77.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -76.19 -44.77 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.19 -51.65 51.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.435 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.94 -41.09 97.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.491 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.775 ' C ' HD23 ' A' ' 159' ' ' LEU . 7.4 tt -51.48 -50.64 59.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.47 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.93 -40.21 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.477 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 161' ' ' LEU . 55.1 tp -59.93 -44.31 94.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.467 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.25 -39.87 60.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.505 ' HE3' HD21 ' A' ' 159' ' ' LEU . 98.1 mttt -63.67 -40.98 98.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -64.14 -44.39 92.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.01 -40.58 98.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.415 HH12 HG21 ' B' ' 220' ' ' ILE . 61.9 ttp180 -63.11 -42.4 99.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.506 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -69.77 -18.11 63.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 22.8 t -73.71 -60.71 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.564 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -58.06 -10.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 172' ' ' LYS . 87.6 mt -94.92 -46.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.403 ' HG2' ' H ' ' A' ' 173' ' ' GLU . 52.4 tt0 52.28 -88.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.547 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 170' ' ' ILE . 15.5 ttmt 55.81 46.04 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 171' ' ' GLN . 6.3 tm-20 -54.98 116.9 3.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.551 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -157.75 18.93 0.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 10.6 m -77.55 128.57 34.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.579 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -164.22 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.478 ' O ' ' O ' ' A' ' 178' ' ' LYS . 30.1 pt20 -92.5 -4.84 52.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.511 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' A' ' 177' ' ' GLN . 43.2 tttp . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.577 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 38.4 t -61.98 -41.45 98.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.498 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -91.84 143.72 26.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.531 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -173.23 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -92.92 171.85 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.598 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.8 mt -123.62 128.27 74.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.504 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 96.2 t -81.77 125.07 39.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.653 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 6.6 p -100.78 161.19 13.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.453 ' HB3' HH12 ' B' ' 221' ' ' ARG . 56.3 m-20 -61.95 -38.96 90.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . 0.489 ' HG2' HH21 ' B' ' 221' ' ' ARG . 96.6 mt-10 -63.19 -54.12 42.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -47.14 -35.93 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.654 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' B' ' 220' ' ' ILE . 32.6 mm -66.97 -46.66 84.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . 0.489 HH21 ' HG2' ' B' ' 218' ' ' GLU . 93.3 mtm-85 -64.14 -50.25 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.52 -34.76 71.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.43 -44.76 70.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -68.3 -40.44 81.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.03 -39.73 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -59.29 -44.29 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.07 -40.64 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -58.73 -39.11 79.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.95 -39.13 84.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -43.16 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.583 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.75 -38.93 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.04 -44.29 82.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.29 -60.08 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.574 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 56.8 tp -41.25 -49.22 3.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.53 -50.02 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -58.49 -48.37 81.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.53 67.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.481 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 10.1 tp -81.99 -32.65 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.533 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 239' ' ' MET . 12.4 tmm? -76.42 -8.92 58.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.573 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -94.4 -17.58 22.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.558 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' B' ' 243' ' ' LEU . 99.6 m-20 -96.59 39.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.547 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.46 ' CG1' ' O ' ' B' ' 241' ' ' ASP . 47.4 pt 39.73 17.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.533 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.643 ' N ' ' O ' ' B' ' 241' ' ' ASP . 19.1 mt -95.44 -8.6 35.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.64 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.551 179.664 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.636 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.3 OUTLIER -99.65 -43.48 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.864 0.364 . . . . 0.0 110.618 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 137' ' ' SER . 47.4 Cg_exo -55.09 -38.01 93.71 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 122.767 2.311 . . . . 0.0 112.195 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.15 -40.28 95.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.75 -40.75 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.539 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -65.37 -39.64 92.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.525 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.84 -39.66 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -60.26 -42.29 95.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.0 ttp -59.15 -40.73 86.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.495 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.51 -41.69 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.466 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -66.74 -43.34 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.53 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -62.85 -44.15 96.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.42 -37.49 87.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.495 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.79 -36.51 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.448 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -69.31 -40.95 77.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.484 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.463 ' OE2' HD11 ' A' ' 154' ' ' LEU . 48.8 tp10 -66.97 -29.75 69.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.448 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.568 ' CD1' HD22 ' B' ' 234' ' ' LEU . 14.4 mt -68.47 -32.79 73.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -65.23 -48.2 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.45 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.2 pp -80.42 -37.76 31.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.444 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.611 ' N ' HD12 ' A' ' 154' ' ' LEU . 52.3 tp10 -63.02 -43.06 99.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.455 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -71.77 -42.06 67.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.504 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.17 -49.34 32.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.507 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 29.6 ttpt -56.85 -43.11 80.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.503 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 155' ' ' GLU . 6.6 mp -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.523 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.9 t -61.0 -45.21 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.65 -41.18 98.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.81 -38.18 81.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.459 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -64.08 -37.38 87.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.552 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.05 -38.97 93.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.598 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 79.7 ttt180 -62.15 -42.47 99.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.521 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -78.04 -16.75 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.546 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 43.5 t -67.85 -40.77 83.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.493 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -42.31 -72.6 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.84 -43.8 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.442 ' OE1' ' OG1' ' A' ' 175' ' ' THR . 1.0 OUTLIER 56.45 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.567 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.637 ' C ' ' H ' ' A' ' 174' ' ' ALA . 98.7 mttt -81.32 172.35 13.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.533 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.13 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.579 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.637 ' H ' ' C ' ' A' ' 172' ' ' LYS . . . -83.74 -6.33 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.524 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 171' ' ' GLN . 27.3 m -62.56 132.85 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.627 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -166.18 -46.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.586 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 41.6 86.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 pttt . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 44.2 t -137.68 141.22 41.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.492 ' O ' ' C ' ' B' ' 212' ' ' ALA . 55.3 mtmt -84.9 148.81 26.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . 31.92 -151.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.459 ' CE2' ' CG2' ' B' ' 215' ' ' VAL . 85.8 t80 -103.82 115.17 29.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 96.6 mt -124.38 125.93 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.459 ' CG2' ' CE2' ' B' ' 213' ' ' PHE . 14.4 t -97.81 135.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.624 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 6.3 p -100.53 150.43 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.598 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 97.5 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.555 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -84.79 -19.27 32.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.437 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 96.3 m-20 -85.71 -26.68 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.597 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.45 -39.27 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.636 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -62.21 -44.17 97.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.601 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' B' ' 225' ' ' GLU . 28.2 ttmt -74.15 -60.36 2.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.609 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -40.01 -36.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.25 -43.66 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 222' ' ' LYS . 77.1 mm-40 -60.83 -38.44 85.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.58 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -61.3 -44.65 96.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.52 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -57.52 -34.63 69.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.555 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.43 -39.5 93.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.612 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 80.7 t -62.91 -43.73 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.558 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -58.77 -40.81 85.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.622 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -53.96 -49.7 68.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.55 -19.79 65.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 152' ' ' LEU . 54.2 tp -78.35 -53.32 7.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.505 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -70.88 -34.9 72.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.516 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -61.49 -47.16 86.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.503 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -70.82 -20.31 62.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 50.1 tp -79.3 -34.86 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.534 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 93.2 mtp -58.31 -42.25 86.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.552 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' B' ' 241' ' ' ASP . . . -62.85 149.73 43.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.578 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.585 ' H ' ' C ' ' B' ' 244' ' ' SER . 1.0 OUTLIER 76.81 -65.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 -179.806 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.88 -48.63 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.569 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . . . . . . . . . 90.5 mt -107.7 -11.6 15.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.569 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.585 ' C ' ' H ' ' B' ' 241' ' ' ASP . 13.1 m . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.587 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.643 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -76.23 -42.89 3.44 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.898 0.38 . . . . 0.0 110.549 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 137' ' ' SER . 37.3 Cg_exo -56.78 -34.06 95.64 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.795 2.33 . . . . 0.0 112.082 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.29 -40.3 95.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.7 -39.89 91.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.489 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' NH2' ' OXT' ' B' ' 244' ' ' SER . 59.8 ttt85 -61.17 -40.58 94.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -67.68 -40.18 84.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -58.78 -40.84 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 54.0 ttp -59.52 -41.3 89.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.34 -43.63 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.58 -41.31 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.51 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -63.33 -42.11 98.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 148' ' ' LEU . 96.4 mt -69.48 -23.23 63.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.502 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -63.78 -46.05 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.441 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.06 -51.72 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.512 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -55.51 -36.83 67.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.463 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 50.1 tp -60.77 -43.98 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.14 -40.31 97.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 154' ' ' LEU . 96.6 mt -64.96 -39.22 93.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.487 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.25 -36.28 83.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.487 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.3 -43.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.511 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -48.69 -52.48 23.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.49 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.21 -41.6 84.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.44 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.582 HD21 ' HG3' ' B' ' 223' ' ' GLN . 82.3 mt -60.67 -50.72 72.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.49 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.95 -40.63 86.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.477 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.25 -42.48 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 mt -59.4 -38.22 80.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -61.56 -45.18 95.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -66.65 -40.68 88.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.454 ' O ' ' OG ' ' A' ' 168' ' ' SER . 96.6 mt -62.71 -39.92 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.414 ' NH2' ' OD1' ' B' ' 217' ' ' ASP . 17.8 mmm180 -64.32 -40.9 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.502 ' HA ' HD12 ' A' ' 170' ' ' ILE . 85.1 mt-30 -78.25 -18.0 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.56 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 165' ' ' LEU . 95.5 p -78.11 -18.41 55.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.586 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.18 -6.54 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.471 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 167' ' ' GLN . 84.6 mt -78.9 -24.05 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.494 -179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' A' ' 170' ' ' ILE . 87.5 mt-30 57.62 115.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.488 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -62.98 127.47 31.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -102.59 -23.36 13.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.555 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -172.63 -45.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.529 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 175' ' ' THR . 18.9 m 39.18 87.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.535 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 177' ' ' GLN . . . 45.56 29.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.589 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.438 ' O ' ' O ' ' A' ' 176' ' ' ALA . 58.1 tt0 42.09 94.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.519 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 63.3 mttp . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.63 179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.94 5.48 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.478 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' B' ' 212' ' ' ALA . 98.3 mttt -84.08 145.64 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.561 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' B' ' 211' ' ' LYS . . . -32.15 137.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.512 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -108.05 -175.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 51.2 mm -122.99 128.65 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 76.8 t -78.39 123.51 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.669 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . . . . . . . . . 59.1 p -99.79 156.75 16.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.414 ' OD1' ' NH2' ' A' ' 166' ' ' ARG . 73.7 m-20 -64.12 -41.83 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.85 -55.71 23.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -42.31 -34.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.556 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 74.4 mt -78.34 -42.83 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.594 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.84 -35.74 79.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.64 -26.6 37.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.582 ' HG3' HD21 ' A' ' 159' ' ' LEU . 69.6 tp60 -72.05 -42.16 66.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.635 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' B' ' 225' ' ' GLU . 0.1 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.577 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 224' ' ' GLU . 78.0 tt0 -63.69 -42.54 97.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.598 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.45 -42.89 98.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.47 HG21 HD11 ' A' ' 159' ' ' LEU . 55.1 t -65.08 -42.23 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . 0.785 ' NE2' HH21 ' B' ' 231' ' ' ARG . 72.4 tp60 -56.99 -37.91 72.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.562 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -60.52 -40.38 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.606 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.27 -43.6 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.57 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . 0.785 HH21 ' NE2' ' B' ' 228' ' ' GLN . 67.9 ttp85 -63.59 -41.42 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.536 -179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.98 -47.82 67.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.556 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' B' ' 234' ' ' LEU . 53.6 mtpt -70.12 -56.48 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.535 179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.632 ' O ' HD23 ' B' ' 234' ' ' LEU . 2.2 tt -37.57 -52.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . 0.55 ' OE2' ' NH1' ' B' ' 231' ' ' ARG . 96.6 mt-10 -66.14 -38.98 89.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.474 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 233' ' ' LYS . 82.7 tt0 -58.27 -51.31 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -66.18 -24.39 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.46 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 55.4 tp -73.77 -37.61 64.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -56.77 -43.84 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -58.29 99.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.491 ' N ' ' OD1' ' B' ' 241' ' ' ASP . 21.7 p-10 -72.57 -1.19 15.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 17.5 tt -106.77 4.24 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.5 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.426 ' N ' HD12 ' B' ' 243' ' ' LEU . 11.1 mp 57.25 71.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.589 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.475 ' OXT' ' NH2' ' A' ' 141' ' ' ARG . 14.6 m . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.567 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.5 ' N ' ' CD ' ' A' ' 138' ' ' PRO . 40.7 t -173.15 51.75 0.13 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.535 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 137' ' ' SER . 36.8 Cg_endo -65.67 -22.78 57.21 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 C-N-CA 122.804 2.336 . . . . 0.0 112.126 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.6 -41.02 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.96 -41.24 99.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.475 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -63.74 -38.5 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.6 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -66.9 -35.06 79.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.607 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.12 -44.18 95.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.588 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.2 ttp -57.27 -41.49 79.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 46.1 mm -61.73 -43.86 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -65.22 -41.94 93.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -61.95 -38.97 90.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.44 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.81 -35.13 79.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.464 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.718 ' HZ3' HD22 ' B' ' 234' ' ' LEU . 40.6 mmtm -64.81 -31.34 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.402 ' HG2' HH21 ' A' ' 153' ' ' ARG . 97.0 mt-10 -66.03 -49.91 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.427 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.32 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.457 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.8 tt -60.76 -41.83 96.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.477 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . 0.402 HH21 ' HG2' ' A' ' 150' ' ' GLU . 89.8 mtm180 -63.37 -43.53 97.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.459 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 154' ' ' LEU . 86.8 mt -70.03 -42.25 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.546 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -64.23 -41.69 96.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.484 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -75.03 -46.09 37.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.456 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -53.19 -52.44 58.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.509 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.454 ' O ' HD23 ' A' ' 162' ' ' LEU . 5.4 tppt? -59.93 -38.04 81.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.505 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.496 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.03 -40.95 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.492 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.455 ' O ' HD13 ' A' ' 165' ' ' LEU . 86.2 mt -60.02 -41.81 92.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.479 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 158' ' ' LYS . 3.2 mm? -57.49 -38.39 74.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.476 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.522 ' NZ ' ' NE2' ' A' ' 167' ' ' GLN . 65.4 tttm -60.9 -43.5 98.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.488 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.96 -36.52 81.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.515 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 161' ' ' LEU . 7.8 mp -59.27 -44.28 92.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.549 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -65.66 -37.64 87.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.496 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . 0.522 ' NE2' ' NZ ' ' A' ' 163' ' ' LYS . 97.0 mt-30 -64.2 -31.55 72.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 170' ' ' ILE . 62.6 m -61.96 -45.21 94.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.512 -179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -57.53 -8.46 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 172' ' ' LYS . 88.3 mt -63.67 -46.24 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.576 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.546 ' O ' ' C ' ' A' ' 172' ' ' LYS . 53.2 tt0 49.9 -76.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.508 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . 0.699 ' N ' ' O ' ' A' ' 170' ' ' ILE . 68.0 mttm -27.81 -68.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 -179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -80.52 113.95 19.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.575 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.98 152.96 25.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 177' ' ' GLN . 34.1 m -60.76 131.76 51.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.601 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -86.99 28.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . 0.477 ' H ' HG22 ' A' ' 175' ' ' THR . 99.8 mm-40 42.05 74.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.578 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 26.9 pttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.556 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 67.5 m -59.82 -39.02 83.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 110.504 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' B' ' 212' ' ' ALA . 88.7 tttt -74.08 136.45 43.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' B' ' 211' ' ' LYS . . . 47.02 101.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . 0.582 ' O ' ' CD2' ' B' ' 213' ' ' PHE . 30.9 p90 -114.99 121.35 42.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 94.1 mt -127.02 130.46 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.567 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . . . . . . . . . 97.8 t -86.37 133.68 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.589 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 32.1 p -102.11 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.519 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -63.01 -38.96 93.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.82 -53.96 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.425 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 95.0 m-20 -48.26 -36.96 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 94.9 mt -71.56 -43.32 71.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.574 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -58.4 -40.67 83.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.639 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -57.34 -59.74 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . 0.521 ' O ' HG23 ' B' ' 227' ' ' VAL . 98.3 mm-40 -43.5 -36.59 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 179.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -72.92 -43.8 61.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.53 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -62.14 -43.11 99.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.559 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.18 -42.04 99.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 223' ' ' GLN . 54.7 t -64.85 -42.71 95.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.565 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.41 -39.06 82.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -63.6 -41.2 98.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.566 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . . . . . . . . . 53.4 t -63.14 -44.85 99.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -64.19 -40.28 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -54.98 -47.12 75.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.524 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' B' ' 236' ' ' GLU . 53.4 mtmt -65.58 -60.03 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.518 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.718 HD22 ' HZ3' ' A' ' 149' ' ' LYS . 91.8 mt -35.31 -46.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.532 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . 0.552 ' O ' ' SD ' ' B' ' 239' ' ' MET . 79.3 mm-40 -67.57 -36.4 80.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 233' ' ' LYS . 51.9 tp10 -64.14 -46.5 83.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.511 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' B' ' 244' ' ' SER . . . -64.38 -22.98 67.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.502 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . . . . . . . . . 85.9 mt -86.38 -28.78 23.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.552 ' SD ' ' O ' ' B' ' 235' ' ' GLU . 0.0 OUTLIER -73.38 -8.87 57.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.527 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' B' ' 242' ' ' ILE . . . -79.75 148.03 31.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.535 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' B' ' 240' ' ' ALA . 99.1 m-20 37.09 -83.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.51 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.777 HG23 ' H ' ' B' ' 243' ' ' LEU . 10.9 tt -166.93 -59.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.49 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.777 ' H ' HG23 ' B' ' 242' ' ' ILE . 57.5 mt -95.32 -2.11 49.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.583 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.667 ' CB ' ' HB3' ' B' ' 240' ' ' ALA . 10.7 m . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.537 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.505 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 0.1 OUTLIER -178.91 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 137' ' ' SER . 31.3 Cg_endo -63.48 -23.44 71.0 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 0.0 112.185 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -67.57 -39.28 84.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' A' ' 140' ' ' GLU . 59.0 mp0 -67.01 -44.29 80.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -67.78 -39.24 84.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -56.54 -42.51 78.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.581 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.91 -49.96 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -42.01 -50.1 4.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.509 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.7 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.47 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.48 -35.6 79.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.518 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.14 -37.97 87.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.465 HD12 HG13 ' B' ' 230' ' ' VAL . 4.0 mm? -65.68 -33.73 76.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.407 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.94 -35.47 80.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -66.99 -57.24 7.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.464 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.85 -33.52 74.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.11 -45.48 94.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.495 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -65.06 -44.84 87.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.13 -42.39 89.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.468 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -64.41 -37.69 88.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -74.17 -44.99 51.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -51.35 -50.84 58.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -62.61 -39.22 93.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.657 ' O ' HD23 ' A' ' 159' ' ' LEU . 2.2 tt -59.06 -50.34 74.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.45 -44.41 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 161' ' ' LEU . 95.6 mt -62.01 -40.52 95.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.67 HD11 HG21 ' B' ' 215' ' ' VAL . 51.6 tp -59.38 -39.16 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.489 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -58.45 -44.96 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.46 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 164' ' ' LYS . 1.3 mptm? -59.29 -38.15 79.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 165' ' ' LEU . 0.2 OUTLIER -60.01 -48.77 80.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.438 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.569 ' NE ' ' OD1' ' B' ' 217' ' ' ASP . 76.8 ttt-85 -61.84 -42.0 98.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.595 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -53.06 -40.37 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.481 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 170' ' ' ILE . 60.4 m -58.32 -50.48 73.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.507 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -42.72 -18.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.574 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 168' ' ' SER . 95.7 mt -63.8 -43.14 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 60.49 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.535 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.82 135.46 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -113.53 -31.13 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -146.96 95.84 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . . . . . . . . . 87.0 m -62.32 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.652 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 141.03 57.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.605 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -93.05 -2.45 55.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.554 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.59 -179.804 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' SER . . . . . . . . . . . . . 30.8 t -67.66 142.07 56.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 110.532 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -83.61 145.35 28.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.547 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' ALA . . . . . . . . . . . . . . . -82.53 173.44 11.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -80.69 102.94 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.6 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' ILE . . . . . . . . . . . . . 97.1 mt -125.01 128.42 73.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' VAL . . . . . 0.67 HG21 HD11 ' A' ' 162' ' ' LEU . 68.0 t -84.9 128.19 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.61 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' B' ' 219' ' ' ASP . 48.1 p -101.38 158.59 15.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.532 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ASP . . . . . 0.569 ' OD1' ' NE ' ' A' ' 166' ' ' ARG . 91.1 m-20 -63.56 -42.21 98.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -66.42 -55.04 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' ASP . . . . . 0.419 ' CG ' ' OG1' ' B' ' 216' ' ' THR . 91.4 m-20 -44.44 -37.91 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . . . . . . . . . 93.1 mt -70.13 -43.05 79.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.602 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -59.69 -45.36 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.672 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 222' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -61.34 -30.07 70.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 223' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -70.71 -41.69 71.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.658 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -68.95 -39.51 79.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 225' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -58.63 -40.96 84.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.623 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 226' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -60.83 -41.6 96.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.602 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 227' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.98 -41.48 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.533 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 228' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -57.22 -38.52 73.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 229' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -61.76 -40.17 94.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.597 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 230' ' ' VAL . . . . . 0.465 HG13 HD12 ' A' ' 148' ' ' LEU . 76.5 t -61.0 -43.76 96.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 231' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.27 -42.12 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 232' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -52.46 -54.69 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.568 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 233' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.17 -27.12 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.533 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.428 ' O ' HD23 ' B' ' 238' ' ' LEU . 54.8 tp -71.9 -58.88 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 235' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.29 -36.01 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 236' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -58.17 -45.23 87.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.52 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 237' ' ' ALA . . . . . . . . . . . . . . . -65.8 -23.36 66.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.492 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 238' ' ' LEU . . . . . 0.428 HD23 ' O ' ' B' ' 234' ' ' LEU . 3.8 mm? -84.13 -33.31 24.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 239' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' B' ' 239' ' ' MET . 3.2 ppp? -94.49 -9.49 35.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -68.37 139.5 55.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.585 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' B' ' 242' ' ' ILE . 95.1 m-20 57.31 39.67 28.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.478 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' B' ' 243' ' ' LEU . 44.4 pt 35.72 44.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 243' ' ' LEU . . . . . 0.582 ' CB ' ' O ' ' B' ' 242' ' ' ILE . 2.3 tt 87.96 79.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 244' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' B' ' 243' ' ' LEU . 1.6 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 stop_ save_