data_7d13_residue ############################ # Computer software used # ############################ 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 7d13 _Structure_validation_residue.Date_analyzed 2020-11-14 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 ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.9 0.381 . . . . 75.1 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.42 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.3 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 73.14 110.943 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.43 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.23 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.51 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.04 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 61.25 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.1 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.54 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.44 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.11 110.899 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 72.31 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.22 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.21 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.24 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.2 110.94 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.54 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.33 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.42 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.9 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.41 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.03 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 72.52 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 73.34 110.909 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 73.41 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.14 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 62.31 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.44 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.53 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.888 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.12 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 75.35 110.937 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 65.32 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 64.33 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.32 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.33 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.14 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 74.41 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 70.13 110.941 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 74.13 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.01 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.15 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 75.04 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.24 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.23 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.34 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 62.41 110.978 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.911 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 74.22 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.02 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 61.44 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.35 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 74.41 110.905 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 72.31 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.44 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 54.31 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.02 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.962 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.15 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.54 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 72.14 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.52 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.45 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 74.42 110.869 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.83 0.348 . . . . 73.2 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 63.5 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.34 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.92 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.878 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.22 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.35 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.952 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.41 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.13 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.52 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 71.12 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 72.21 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 71.23 110.94 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 71.11 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.41 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.53 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.21 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.917 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.04 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.12 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.32 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.21 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 71.25 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.02 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 70.43 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.03 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 74.43 110.932 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.894 0.378 . . . . 74.55 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.4 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.53 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.12 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.877 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.083 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.21 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.873 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.933 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.05 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.32 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.33 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 74.22 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.03 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.05 110.886 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 63.33 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.55 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.41 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 63.33 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.91 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.32 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.884 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.35 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.5 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.24 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.42 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.32 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.11 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 74.33 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.3 110.959 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 72.34 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.03 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 65.51 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 72.12 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.11 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 74.31 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.43 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 54.14 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 75.15 110.916 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.927 0.394 . . . . 63.21 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.52 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.3 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 72.01 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.11 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.4 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.13 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 62.53 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.3 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.44 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 75.34 110.874 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 75.54 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.14 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 63.34 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.52 110.94 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.22 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.099 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.932 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 75.1 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.13 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.862 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.31 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 22.23 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 75.13 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 72.35 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 73.12 110.919 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.81 0.338 . . . . 64.12 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.04 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.53 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.52 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 54.54 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.04 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.01 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 65.1 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.31 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.893 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.921 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.05 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 71.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 75.5 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 64.24 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 52.14 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 70.34 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 75.35 110.935 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 75.22 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.15 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.01 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 73.45 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.876 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.54 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.868 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 64.41 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.892 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.1 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.35 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 72.34 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.1 110.918 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.43 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 64.25 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 65.11 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 74.32 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.04 110.93 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.839 0.352 . . . . 71.01 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.54 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.43 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.04 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.55 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 71.3 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.937 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.05 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.45 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 73.1 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 73.34 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 63.31 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.53 110.904 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 65.3 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.937 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.41 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.34 110.905 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.904 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 71.15 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.52 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 71.2 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.54 110.897 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.898 0.38 . . . . 64.43 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.52 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.51 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.04 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.15 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.45 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.15 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 70.13 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 71.4 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 73.5 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 72.32 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.886 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.51 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.15 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.1 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 64.43 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 64.45 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.54 110.933 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 73.34 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.43 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.3 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.01 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 63.04 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.3 110.915 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.33 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.12 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 71.02 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.05 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.01 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.23 110.899 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 72.5 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.51 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.12 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.15 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.873 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.45 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.23 111.093 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.51 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.45 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.903 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.42 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.11 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 73.01 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.53 110.922 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 72.24 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 75.13 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.43 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.888 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 70.04 110.941 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.32 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.913 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.04 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 70.23 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.44 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 74.51 110.926 -179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.84 0.352 . . . . 74.35 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 56.72 45.03 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.44 110.944 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.73 82.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 61.02 111.102 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.29 -61.35 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.42 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.3 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.44 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 73.14 110.943 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 74.34 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.43 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.23 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 74.51 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.43 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 72.04 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 61.25 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 71.32 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.1 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.22 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.54 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.44 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 74.14 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt -84.38 100.16 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.11 110.899 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 64.24 112.512 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.826 0.346 . . . . 72.13 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -87.0 173.42 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 74.11 110.938 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.36 58.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.5 -59.2 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.22 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.42 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.21 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 75.35 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 74.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.24 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.53 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.2 110.94 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.54 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.33 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.42 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.9 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.41 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.03 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 72.52 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 72.15 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.14 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.67 -59.25 2.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 73.34 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 72.14 112.472 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.812 0.339 . . . . 73.35 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -64.73 179.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.71 89.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.24 111.112 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.5 -61.29 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 64.14 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 62.31 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.51 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.44 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.53 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.04 110.888 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.12 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.89 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 75.35 110.937 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 74.41 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 65.32 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.51 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.4 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 75.22 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 64.33 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.32 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.33 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.14 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 74.41 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -134.94 155.26 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 70.13 110.941 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 74.21 112.47 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 74.44 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -153.15 141.42 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.11 -36.79 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.21 111.118 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.32 -68.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.13 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.3 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.01 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 70.15 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 73.22 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 75.04 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 65.24 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.24 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.23 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.34 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 73.1 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 62.41 110.978 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.911 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 64.22 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 74.22 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.02 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 61.44 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.14 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 75.35 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.96 80.39 1.94 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 74.41 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 74.12 112.471 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 51.24 110.847 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -125.79 122.6 36.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 73.15 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.94 -37.65 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.31 111.097 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -57.01 -57.12 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.891 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 74.44 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 54.31 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.55 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.02 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.54 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 63.33 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.962 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.15 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.35 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.54 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.43 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 72.14 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.41 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.52 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.45 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.98 162.9 26.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 74.42 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 71.11 112.478 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.812 0.339 . . . . 64.14 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -121.75 161.33 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.31 110.961 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.72 -39.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.44 111.064 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.51 -57.18 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 73.2 110.854 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 63.5 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.42 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.03 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.34 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.2 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.04 110.92 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.878 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.51 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.22 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.35 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.33 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.952 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.04 110.916 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.925 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.15 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.41 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.13 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.52 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 71.12 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 72.21 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp -114.8 -72.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 71.23 110.94 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 50.22 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 73.11 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -58.82 125.85 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 61.31 110.944 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.75 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.23 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -56.53 -57.31 12.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 71.11 110.883 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 74.5 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.21 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.34 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.41 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.53 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.21 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.52 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 70.24 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.917 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.13 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.04 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.12 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.41 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.32 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.05 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.21 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 71.25 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.02 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 70.43 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.03 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt -127.85 135.31 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 74.43 110.932 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 60.54 112.494 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.87 0.367 . . . . 63.14 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.14 75.46 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 72.31 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.86 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.24 111.089 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -53.01 -61.01 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.55 110.887 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.44 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 71.11 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.4 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.53 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 74.43 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.12 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.877 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.21 111.083 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.11 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.22 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.21 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.873 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.933 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 64.05 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 73.4 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 74.33 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.32 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.33 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 74.22 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.03 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.17 -175.82 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.05 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 74.4 112.5 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.836 0.351 . . . . 73.05 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -55.33 138.82 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 73.03 110.931 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.34 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -59.91 -66.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.33 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.22 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 65.11 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.55 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.41 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 63.33 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.42 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.01 110.91 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.41 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.32 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 75.54 110.884 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.35 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 72.5 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.24 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.42 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.32 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.11 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.01 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 74.33 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -124.91 179.34 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.3 110.959 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 64.11 112.53 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 75.21 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -128.07 149.52 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 63.4 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -54.78 -39.12 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.31 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.02 -60.3 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.22 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 73.24 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.03 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.42 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 65.51 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.21 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.22 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 73.54 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.55 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 72.12 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.13 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 71.22 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.11 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 74.31 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.43 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 65.15 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 54.14 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp -102.96 98.95 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 75.15 110.916 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 60.44 112.498 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.785 0.326 . . . . 74.25 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 60.21 36.7 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 63.41 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.14 84.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 70.33 111.074 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.64 -56.97 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.913 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.52 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.52 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 74.12 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.3 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.51 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 72.01 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.11 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.51 110.893 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.4 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.13 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 62.53 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.3 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 72.21 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.44 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp -145.5 142.98 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 75.34 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 74.31 112.487 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 72.13 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -101.21 -36.1 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.872 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.71 -38.26 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 53.42 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.94 -66.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 75.54 110.88 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 73.54 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.14 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 63.34 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 72.2 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.51 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.52 110.94 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.22 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.14 111.099 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.932 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 75.1 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.13 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.899 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.34 110.862 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.01 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.31 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.22 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 22.23 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 75.13 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 72.35 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.54 150.87 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 73.12 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 75.51 112.519 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.842 0.353 . . . . 73.3 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -111.9 146.88 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 71.04 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.47 -36.2 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.11 111.104 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -56.35 -67.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.04 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.53 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.52 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 54.54 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.04 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.01 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.5 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 65.1 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.2 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.3 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.1 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 74.01 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.04 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.31 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.893 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.04 110.921 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.05 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 71.04 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.42 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 75.5 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 64.24 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 52.14 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 70.34 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.4 101.74 11.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 75.35 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 72.32 112.462 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.794 0.33 . . . . 64.22 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.95 54.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.64 -36.83 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 71.53 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.27 -67.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.35 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.24 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.53 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.15 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.01 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 73.45 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.876 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 73.54 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 71.22 110.868 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 64.41 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.892 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.24 111.1 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.4 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 74.02 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.32 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.35 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 72.34 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.21 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.1 110.918 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.13 110.9 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.43 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 64.25 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 65.11 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.11 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 74.21 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 74.32 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -42.13 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.04 110.93 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 73.41 112.47 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.43 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -145.94 168.78 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 73.13 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -65.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 71.01 110.894 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.54 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.43 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 75.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 72.21 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.32 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.04 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.43 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.03 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.55 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 71.3 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.43 110.937 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.05 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.45 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 73.1 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 73.34 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 63.31 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp -66.79 128.28 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.53 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 74.32 112.456 179.87 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 74.21 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -117.72 103.18 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.95 -36.79 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.22 111.106 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.0 -66.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 65.3 110.908 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.51 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 75.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.937 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.41 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.34 110.905 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.51 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.2 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 74.33 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.14 110.904 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 71.15 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.52 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 75.23 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 71.2 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.54 154.56 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.54 110.897 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 65.22 112.505 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.853 0.358 . . . . 75.4 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -131.92 124.82 30.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.72 60.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.093 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.9 -67.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.43 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.52 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.51 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.13 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.04 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.45 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.15 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.33 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.45 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.15 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 70.13 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 73.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.23 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 71.4 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 73.5 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 72.32 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.886 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.51 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.15 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.1 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 64.43 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 64.45 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.09 92.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.54 110.933 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 64.41 112.45 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 74.32 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.18 147.64 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.53 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.1 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.093 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.93 -61.11 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.925 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 73.43 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 71.3 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.01 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 63.04 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.4 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 73.3 110.915 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.11 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.55 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 74.42 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.33 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.14 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 74.21 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.12 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 71.02 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 73.05 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 74.01 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.41 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp -51.98 -36.49 49.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.23 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 63.42 112.502 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.824 0.345 . . . . 73.44 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -55.67 117.68 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.35 110.954 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.78 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.1 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -56.69 -56.78 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 72.5 110.848 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.33 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.51 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.12 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.15 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.11 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.873 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.45 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.03 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.23 111.093 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.9 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.51 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.45 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.903 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.42 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.15 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.11 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 72.3 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 73.01 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.53 110.922 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.494 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 62.12 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 56.18 48.45 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.954 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.04 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.34 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -54.67 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 72.24 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 75.13 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.12 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.43 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.55 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 72.41 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.888 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.24 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.42 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.32 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 70.4 110.94 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.44 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 70.04 110.941 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.52 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.32 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.44 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.913 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.01 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.04 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.34 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 70.23 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.02 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.15 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.44 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 -47.6 70.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 74.51 110.926 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 73.34 112.496 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.9 0.381 . . . . 75.099999999999994 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 55.25 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 61.030000000000001 110.943 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 64.439999999999998 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.130000000000003 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.883 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 34.240000000000002 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.230000000000004 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 40.109999999999999 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 61.039999999999999 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 70.030000000000001 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.329999999999998 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 43.340000000000003 110.903 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 54.25 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.219999999999999 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.540000000000006 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.439999999999998 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 71.519999999999996 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.109999999999999 110.899 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 61.299999999999997 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 53.310000000000002 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.400000000000006 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.520000000000003 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 61.340000000000003 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.94 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.329999999999998 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.420000000000002 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 337' ' ' LEU . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.9 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.409999999999997 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.030000000000001 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 70.349999999999994 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.539999999999999 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 70.340000000000003 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.140000000000001 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 71.209999999999994 110.909 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 73.409999999999997 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 51.439999999999998 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.120000000000005 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.439999999999998 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.040000000000006 110.888 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.120000000000005 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 65.400000000000006 110.89 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 63.119999999999997 110.937 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.329999999999998 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 52.329999999999998 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.400000000000006 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 54.240000000000002 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.319999999999993 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.329999999999998 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.140000000000001 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 25.34 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 64.439999999999998 110.941 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 74.129999999999995 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 64.030000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 34.299999999999997 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 54.119999999999997 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 54.340000000000003 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.595 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.932 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 60.039999999999999 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.219999999999999 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.239999999999995 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.595 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.210000000000001 110.922 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.409999999999997 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.439999999999998 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.340000000000003 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 61.439999999999998 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 333' ' ' LEU . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 54.530000000000001 110.978 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 332' ' ' LEU . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.911 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 44.450000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.240000000000002 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 52.140000000000001 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.020000000000003 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 41.119999999999997 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.530000000000001 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 73.329999999999998 110.905 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 72.310000000000002 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 53.119999999999997 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 54.43 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 31.329999999999998 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.020000000000003 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 63.140000000000001 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 43.009999999999998 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.210000000000001 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.340000000000003 110.962 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 31.34 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 71.310000000000002 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 53.109999999999999 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.540000000000006 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 63.32 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.519999999999996 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 63.200000000000003 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.450000000000003 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 65.430000000000007 110.869 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.83 0.348 . . . . 73.200000000000003 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 42.149999999999999 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 54.520000000000003 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.030000000000001 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.340000000000003 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 70.120000000000005 110.92 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 52.25 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 320' ' ' GLN . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 65.439999999999998 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 35.409999999999997 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.319999999999993 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.349999999999994 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 331' ' ' LEU . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 110.916 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 333' ' ' LEU . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.925 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 61.43 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 53.310000000000002 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.409999999999997 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.130000000000003 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.519999999999996 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 62.109999999999999 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 62.450000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 62.140000000000001 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 53.409999999999997 110.94 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 71.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.209999999999994 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.209999999999994 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 70.010000000000005 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 65.549999999999997 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.530000000000001 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.576 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.209999999999994 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.519999999999996 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.040000000000006 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.120000000000005 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.439999999999998 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 53.450000000000003 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 61.039999999999999 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 43.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.209999999999994 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 42.210000000000001 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.019999999999996 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 53.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.030000000000001 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 45.119999999999997 110.932 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.894 0.378 . . . . 74.549999999999997 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 61.409999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 45.200000000000003 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.230000000000004 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.120000000000005 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 322' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.877 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 61.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.109999999999999 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 51.310000000000002 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 331' ' ' LEU . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.933 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.32 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 71.109999999999999 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 73.019999999999996 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.319999999999993 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.329999999999998 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 43.299999999999997 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.030000000000001 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.049999999999997 110.886 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 63.329999999999998 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 65.099999999999994 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 50.200000000000003 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 62.240000000000002 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.019999999999996 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 70.450000000000003 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.109999999999999 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 65.25 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.010000000000005 110.91 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.319999999999993 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 331' ' ' LEU . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.100000000000001 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.420000000000002 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.319999999999993 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.109999999999999 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.010000000000005 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 70.040000000000006 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.030000000000001 110.959 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 72.340000000000003 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 64.549999999999997 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 52.530000000000001 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 60.420000000000002 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.010000000000005 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.519999999999996 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 55.130000000000003 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 54.340000000000003 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.109999999999999 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 72.129999999999995 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.430000000000007 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.510000000000005 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 61.210000000000001 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 41.350000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 65.120000000000005 110.916 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.927 0.394 . . . . 63.210000000000001 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.519999999999996 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.450000000000003 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 61.509999999999998 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.509999999999998 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.140000000000001 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 62.119999999999997 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.430000000000007 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 31.34 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.230000000000004 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 333' ' ' LEU . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.400000000000006 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.129999999999995 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 61.219999999999999 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.299999999999997 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.329999999999998 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.439999999999998 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 62.409999999999997 110.874 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 75.540000000000006 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.140000000000001 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 322' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.519999999999996 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.219999999999999 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 63.039999999999999 111.099 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.329999999999998 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 73.310000000000002 110.932 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 51.509999999999998 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.129999999999995 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 331' ' ' LEU . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.862 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.5 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.310000000000002 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 21.350000000000001 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.130000000000003 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.420000000000002 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.420000000000002 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 61.119999999999997 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.919 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.81 0.338 . . . . 64.120000000000005 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.039999999999999 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 70.5 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 55.340000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 42.329999999999998 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.039999999999999 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.539999999999999 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 51.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 61.009999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 61.049999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.913 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.310000000000002 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 331' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 331' ' ' LEU . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.420000000000002 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 73.019999999999996 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 60.229999999999997 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 40.140000000000001 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 65.129999999999995 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 74.150000000000006 110.935 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 54.439999999999998 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.310000000000002 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 60.409999999999997 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.876 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 322' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 53.149999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 44.119999999999997 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.049999999999997 110.892 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 111.1 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.209999999999994 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.349999999999994 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 65.310000000000002 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.030000000000001 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 337' ' ' LEU . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.099999999999994 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 336' ' ' LEU . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.430000000000007 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 41.229999999999997 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 64.239999999999995 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.109999999999999 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.040000000000006 110.93 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.839 0.352 . . . . 62.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.420000000000002 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.219999999999999 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 61.200000000000003 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 51.100000000000001 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.549999999999997 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 70.040000000000006 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 332' ' ' LEU . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 70.430000000000007 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.140000000000001 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.019999999999996 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 61.310000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 60.210000000000001 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.450000000000003 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 64.120000000000005 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 71.120000000000005 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 60.130000000000003 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.530000000000001 110.904 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 65.299999999999997 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.510000000000005 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 51.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.140000000000001 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.53 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.239999999999995 110.915 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 64.340000000000003 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.049999999999997 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 110.937 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.340000000000003 110.905 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.310000000000002 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.040000000000006 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 63.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 337' ' ' LEU . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.140000000000001 110.904 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.519999999999996 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.019999999999996 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.210000000000001 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 50.229999999999997 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.540000000000006 110.897 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.898 0.38 . . . . 64.430000000000007 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 61.329999999999998 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.450000000000003 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 55.109999999999999 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.149999999999999 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 44.119999999999997 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 51.109999999999999 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 65.540000000000006 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.519999999999996 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.140000000000001 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.120000000000005 110.886 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.420000000000002 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.150000000000006 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.099999999999994 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 62.109999999999999 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 53.399999999999999 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.219999999999999 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 33.229999999999997 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.540000000000006 110.933 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 73.340000000000003 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 64.340000000000003 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.210000000000001 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.010000000000005 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 55.210000000000001 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.618 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.519999999999996 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.130000000000003 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.430000000000007 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.329999999999998 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.129999999999995 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 62.119999999999997 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 55.240000000000002 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 70.329999999999998 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.409999999999997 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.230000000000004 110.899 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 72.5 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 65.310000000000002 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 53.100000000000001 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.150000000000006 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 321' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 325' ' ' ALA . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 64.219999999999999 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.030000000000001 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 325' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 321' ' ' GLU . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.093 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 53.240000000000002 110.9 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 70.230000000000004 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 61.439999999999998 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 332' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 332' ' ' LEU . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.903 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.420000000000002 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.150000000000006 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 72.25 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.530000000000001 110.922 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 72.239999999999995 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.549999999999997 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 53.299999999999997 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 320' ' ' GLN . . . . . 0.557 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 324' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 62.130000000000003 110.94 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 45.310000000000002 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.319999999999993 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.210000000000001 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.530000000000001 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.200000000000003 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.340000000000003 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 336' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.010000000000005 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.039999999999999 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 53.520000000000003 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.150000000000006 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 61.130000000000003 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 72.439999999999998 110.926 -179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.84 0.352 . . . . 74.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 56.72 45.03 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.439999999999998 110.944 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.73 82.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 61.020000000000003 111.102 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.29 -61.35 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.099999999999994 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 55.25 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 61.030000000000001 110.943 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 64.439999999999998 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.130000000000003 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.883 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 34.240000000000002 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.230000000000004 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 40.109999999999999 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 61.039999999999999 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 70.030000000000001 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.329999999999998 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 43.340000000000003 110.903 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 54.25 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.219999999999999 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.540000000000006 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.439999999999998 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 71.519999999999996 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt -84.38 100.16 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.109999999999999 110.899 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 64.239999999999995 112.512 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.826 0.346 . . . . 72.129999999999995 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -87.0 173.42 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 43.32 110.938 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.36 58.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.119999999999997 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.5 -59.2 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 53.310000000000002 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.400000000000006 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.520000000000003 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 61.340000000000003 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.94 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.329999999999998 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.420000000000002 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 337' ' ' LEU . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.9 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.409999999999997 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.030000000000001 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 70.349999999999994 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.539999999999999 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 70.340000000000003 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.140000000000001 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.67 -59.25 2.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 71.209999999999994 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.472 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.812 0.339 . . . . 73.349999999999994 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -64.73 179.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.71 89.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.112 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.5 -61.29 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 51.439999999999998 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.120000000000005 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.439999999999998 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.040000000000006 110.888 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.120000000000005 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 65.400000000000006 110.89 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 63.119999999999997 110.937 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.329999999999998 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 52.329999999999998 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.400000000000006 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 54.240000000000002 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.319999999999993 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.329999999999998 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.140000000000001 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 25.34 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -134.94 155.26 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 64.439999999999998 110.941 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.47 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 74.439999999999998 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -153.15 141.42 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.11 -36.79 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.210000000000001 111.118 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.32 -68.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 64.030000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 34.299999999999997 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 54.119999999999997 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 54.340000000000003 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.595 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.932 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 60.039999999999999 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.219999999999999 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.239999999999995 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.595 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.210000000000001 110.922 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.409999999999997 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.439999999999998 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.340000000000003 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 61.439999999999998 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 333' ' ' LEU . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 54.530000000000001 110.978 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 332' ' ' LEU . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.911 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 44.450000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.240000000000002 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 52.140000000000001 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.020000000000003 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 41.119999999999997 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.530000000000001 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.96 80.39 1.94 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 73.329999999999998 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.471 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 51.240000000000002 110.847 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -125.79 122.6 36.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 63.119999999999997 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.94 -37.65 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 111.097 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -57.01 -57.12 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.310000000000002 110.891 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 53.119999999999997 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 54.43 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 31.329999999999998 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.020000000000003 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 63.140000000000001 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 43.009999999999998 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.210000000000001 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.340000000000003 110.962 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 31.34 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 71.310000000000002 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 53.109999999999999 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.540000000000006 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 63.32 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.519999999999996 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 63.200000000000003 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.450000000000003 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.98 162.9 26.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 65.430000000000007 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 71.109999999999999 112.478 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.812 0.339 . . . . 40.409999999999997 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -121.75 161.33 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.961 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.72 -39.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.439999999999998 111.064 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.51 -57.18 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 73.200000000000003 110.854 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 42.149999999999999 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 54.520000000000003 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.030000000000001 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.340000000000003 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 70.120000000000005 110.92 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 52.25 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 320' ' ' GLN . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 65.439999999999998 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 35.409999999999997 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.319999999999993 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.349999999999994 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 331' ' ' LEU . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 110.916 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 333' ' ' LEU . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.925 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 61.43 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 53.310000000000002 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.409999999999997 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.130000000000003 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.519999999999996 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 62.109999999999999 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 62.450000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 62.140000000000001 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp -114.8 -72.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 53.409999999999997 110.94 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 50.219999999999999 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 73.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -58.82 125.85 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 55.310000000000002 110.944 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.75 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.229999999999997 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -56.53 -57.31 12.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 71.109999999999999 110.883 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.209999999999994 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.209999999999994 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 70.010000000000005 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 65.549999999999997 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.530000000000001 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.576 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.209999999999994 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.519999999999996 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.040000000000006 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.120000000000005 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.439999999999998 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 53.450000000000003 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 61.039999999999999 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 43.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.209999999999994 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 42.210000000000001 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.019999999999996 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 53.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.030000000000001 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt -127.85 135.31 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 45.119999999999997 110.932 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 60.539999999999999 112.494 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.87 0.367 . . . . 63.140000000000001 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.14 75.46 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 72.310000000000002 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.86 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 111.089 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -53.01 -61.01 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.549999999999997 110.887 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 61.409999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 45.200000000000003 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.230000000000004 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.120000000000005 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.877 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 61.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.109999999999999 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 51.310000000000002 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 331' ' ' LEU . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.933 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.32 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 71.109999999999999 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 73.019999999999996 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.319999999999993 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.329999999999998 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 43.299999999999997 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.030000000000001 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.17 -175.82 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.049999999999997 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 74.400000000000006 112.5 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.836 0.351 . . . . 73.049999999999997 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -55.33 138.82 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 73.030000000000001 110.931 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.34 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -59.91 -66.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.329999999999998 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 65.099999999999994 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 50.200000000000003 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 62.240000000000002 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.019999999999996 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 70.450000000000003 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.109999999999999 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 65.25 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.010000000000005 110.91 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.319999999999993 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 331' ' ' LEU . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.100000000000001 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.420000000000002 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.319999999999993 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.109999999999999 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.010000000000005 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 70.040000000000006 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -124.91 179.34 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.030000000000001 110.959 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 64.109999999999999 112.53 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 53.43 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -128.07 149.52 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 63.399999999999999 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -54.78 -39.12 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 31.309999999999999 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.02 -60.3 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.340000000000003 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 64.549999999999997 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 52.530000000000001 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 60.420000000000002 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.010000000000005 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.519999999999996 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 55.130000000000003 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 54.340000000000003 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.109999999999999 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 72.129999999999995 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.430000000000007 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.510000000000005 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 61.210000000000001 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 41.350000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp -102.96 98.95 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 65.120000000000005 110.916 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 60.439999999999998 112.498 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.785 0.326 . . . . 74.25 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 60.21 36.7 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.14 84.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 64.030000000000001 111.074 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.64 -56.97 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 63.210000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.519999999999996 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.450000000000003 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 61.509999999999998 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.509999999999998 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.140000000000001 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 62.119999999999997 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.430000000000007 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 31.34 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.230000000000004 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 333' ' ' LEU . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.400000000000006 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.129999999999995 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 61.219999999999999 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.299999999999997 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.329999999999998 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.439999999999998 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp -145.5 142.98 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 62.409999999999997 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.210000000000001 112.487 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 72.129999999999995 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -101.21 -36.1 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 72.140000000000001 110.872 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.71 -38.26 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.240000000000002 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.94 -66.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 75.540000000000006 110.88 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.140000000000001 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.519999999999996 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.219999999999999 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 63.039999999999999 111.099 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.329999999999998 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 73.310000000000002 110.932 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 51.509999999999998 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.129999999999995 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 331' ' ' LEU . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.862 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.5 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.310000000000002 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 21.350000000000001 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.130000000000003 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.420000000000002 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.420000000000002 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 61.119999999999997 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.54 150.87 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 55.43 112.519 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.842 0.353 . . . . 63.130000000000003 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -111.9 146.88 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 71.040000000000006 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.47 -36.2 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 111.104 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -56.35 -67.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.120000000000005 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.039999999999999 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 70.5 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 55.340000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 42.329999999999998 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.039999999999999 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.539999999999999 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 51.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 61.009999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 61.049999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.913 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.310000000000002 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 331' ' ' LEU . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.420000000000002 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 73.019999999999996 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 60.229999999999997 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 40.140000000000001 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 65.129999999999995 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.4 101.74 11.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 74.150000000000006 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 72.319999999999993 112.462 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.794 0.33 . . . . 63.409999999999997 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.95 54.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.140000000000001 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.64 -36.83 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 44.420000000000002 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.27 -67.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 54.439999999999998 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.310000000000002 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 60.409999999999997 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.876 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 53.149999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 44.119999999999997 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.049999999999997 110.892 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 111.1 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.209999999999994 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.349999999999994 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 65.310000000000002 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.030000000000001 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 337' ' ' LEU . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.099999999999994 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 336' ' ' LEU . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.430000000000007 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 41.229999999999997 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 64.239999999999995 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.109999999999999 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -42.13 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.040000000000006 110.93 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 73.409999999999997 112.47 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -145.94 168.78 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.519999999999996 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 63.340000000000003 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -65.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 110.894 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.420000000000002 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.219999999999999 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 61.200000000000003 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 51.100000000000001 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.549999999999997 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 70.040000000000006 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 332' ' ' LEU . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 70.430000000000007 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.140000000000001 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.019999999999996 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 61.310000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 60.210000000000001 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.450000000000003 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 64.120000000000005 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 71.120000000000005 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 60.130000000000003 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp -66.79 128.28 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.530000000000001 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 74.319999999999993 112.456 179.87 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 74.019999999999996 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -117.72 103.18 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.95 -36.79 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 111.106 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.0 -66.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 65.299999999999997 110.908 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.510000000000005 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 51.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.140000000000001 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.53 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.239999999999995 110.915 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 64.340000000000003 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.049999999999997 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 110.937 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.340000000000003 110.905 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.310000000000002 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.040000000000006 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 63.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 337' ' ' LEU . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.140000000000001 110.904 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.519999999999996 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.019999999999996 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.210000000000001 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 50.229999999999997 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.54 154.56 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.540000000000006 110.897 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 65.219999999999999 112.505 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.853 0.358 . . . . 75.400000000000006 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -131.92 124.82 30.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 73.219999999999999 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.72 60.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.093 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.9 -67.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 61.329999999999998 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.450000000000003 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 55.109999999999999 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.149999999999999 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 44.119999999999997 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 51.109999999999999 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 65.540000000000006 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.519999999999996 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.140000000000001 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.120000000000005 110.886 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.420000000000002 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.150000000000006 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.099999999999994 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 62.109999999999999 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 53.399999999999999 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.219999999999999 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 33.229999999999997 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.09 92.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.540000000000006 110.933 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 64.409999999999997 112.45 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 73.099999999999994 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.18 147.64 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.1 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 61.240000000000002 111.093 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.93 -61.11 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.925 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 64.340000000000003 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.210000000000001 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.010000000000005 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 55.210000000000001 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.618 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.519999999999996 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.130000000000003 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.430000000000007 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.329999999999998 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.129999999999995 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 62.119999999999997 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 55.240000000000002 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 70.329999999999998 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.409999999999997 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp -51.98 -36.49 49.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.230000000000004 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 63.420000000000002 112.502 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.824 0.345 . . . . 64.319999999999993 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -55.67 117.68 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.954 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.78 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.100000000000001 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -56.69 -56.78 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 72.5 110.848 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 65.310000000000002 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 53.100000000000001 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.150000000000006 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 321' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 325' ' ' ALA . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 64.219999999999999 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.030000000000001 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 325' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 321' ' ' GLU . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.093 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 53.240000000000002 110.9 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 70.230000000000004 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 61.439999999999998 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 332' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 332' ' ' LEU . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.903 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.420000000000002 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.150000000000006 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 72.25 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.530000000000001 110.922 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 72.349999999999994 112.494 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 62.119999999999997 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 56.18 48.45 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 110.954 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.04 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -54.67 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 72.239999999999995 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.549999999999997 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 53.299999999999997 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 320' ' ' GLN . . . . . 0.557 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 324' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 62.130000000000003 110.94 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 45.310000000000002 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.319999999999993 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.210000000000001 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.530000000000001 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.200000000000003 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.340000000000003 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 336' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.010000000000005 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.039999999999999 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 53.520000000000003 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.150000000000006 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 61.130000000000003 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 -47.6 70.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 72.439999999999998 110.926 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 73.340000000000003 112.496 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.9 0.381 . . . . 75.099999999999994 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 55.25 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 61.030000000000001 110.943 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 64.439999999999998 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.130000000000003 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.883 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 34.240000000000002 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.230000000000004 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 40.109999999999999 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 61.039999999999999 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 70.030000000000001 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.329999999999998 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 43.340000000000003 110.903 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 54.25 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.219999999999999 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.540000000000006 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.439999999999998 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 71.519999999999996 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.109999999999999 110.899 -179.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 61.299999999999997 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 53.310000000000002 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.400000000000006 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.520000000000003 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 61.340000000000003 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.94 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.329999999999998 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.420000000000002 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 337' ' ' LEU . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.9 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.409999999999997 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.030000000000001 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 70.349999999999994 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.539999999999999 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 70.340000000000003 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.140000000000001 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 71.209999999999994 110.909 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 73.409999999999997 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 51.439999999999998 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.120000000000005 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.439999999999998 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.040000000000006 110.888 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.120000000000005 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 65.400000000000006 110.89 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 63.119999999999997 110.937 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.329999999999998 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 52.329999999999998 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.400000000000006 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 54.240000000000002 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.319999999999993 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.329999999999998 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.140000000000001 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 25.34 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 64.439999999999998 110.941 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.855 0.359 . . . . 74.129999999999995 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 64.030000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 34.299999999999997 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 54.119999999999997 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 54.340000000000003 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.595 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.932 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 60.039999999999999 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.219999999999999 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.239999999999995 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.595 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.210000000000001 110.922 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.409999999999997 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.439999999999998 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.340000000000003 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 61.439999999999998 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 333' ' ' LEU . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 54.530000000000001 110.978 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 332' ' ' LEU . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.911 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 44.450000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.240000000000002 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 52.140000000000001 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.020000000000003 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 41.119999999999997 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.530000000000001 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 73.329999999999998 110.905 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.34 . . . . 72.310000000000002 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 53.119999999999997 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 54.43 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 31.329999999999998 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.020000000000003 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 63.140000000000001 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 43.009999999999998 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.210000000000001 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.340000000000003 110.962 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 31.34 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 71.310000000000002 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 53.109999999999999 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.540000000000006 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 63.32 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.519999999999996 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 63.200000000000003 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.450000000000003 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 65.430000000000007 110.869 -179.892 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.83 0.348 . . . . 73.200000000000003 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 42.149999999999999 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 54.520000000000003 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.030000000000001 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.340000000000003 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 70.120000000000005 110.92 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 52.25 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 320' ' ' GLN . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 65.439999999999998 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 35.409999999999997 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.319999999999993 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.349999999999994 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 331' ' ' LEU . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 110.916 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 333' ' ' LEU . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.925 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 61.43 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 53.310000000000002 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.409999999999997 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.130000000000003 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.519999999999996 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 62.109999999999999 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 62.450000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 62.140000000000001 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 53.409999999999997 110.94 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.856 0.36 . . . . 71.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.209999999999994 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.209999999999994 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 70.010000000000005 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 65.549999999999997 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.530000000000001 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.576 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.209999999999994 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.519999999999996 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.040000000000006 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.120000000000005 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.439999999999998 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 53.450000000000003 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 61.039999999999999 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 43.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.209999999999994 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 42.210000000000001 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.019999999999996 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 53.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.030000000000001 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 45.119999999999997 110.932 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.894 0.378 . . . . 74.549999999999997 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 61.409999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 45.200000000000003 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.230000000000004 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.120000000000005 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.877 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 61.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.109999999999999 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 51.310000000000002 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 331' ' ' LEU . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.933 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.32 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 71.109999999999999 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 73.019999999999996 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.319999999999993 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.329999999999998 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 43.299999999999997 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.030000000000001 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.049999999999997 110.886 -179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.873 0.368 . . . . 63.329999999999998 110.86 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 65.099999999999994 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 50.200000000000003 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 62.240000000000002 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.019999999999996 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 70.450000000000003 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.109999999999999 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 65.25 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.010000000000005 110.91 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.319999999999993 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 331' ' ' LEU . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.100000000000001 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.420000000000002 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.319999999999993 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.109999999999999 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.010000000000005 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 70.040000000000006 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.030000000000001 110.959 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.872 0.368 . . . . 72.340000000000003 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 64.549999999999997 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 52.530000000000001 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 60.420000000000002 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.010000000000005 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.519999999999996 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 55.130000000000003 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 54.340000000000003 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.109999999999999 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 72.129999999999995 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.430000000000007 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.510000000000005 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 61.210000000000001 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 41.350000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 65.120000000000005 110.916 -179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.927 0.394 . . . . 63.210000000000001 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.519999999999996 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.450000000000003 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 61.509999999999998 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.509999999999998 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.140000000000001 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 62.119999999999997 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.430000000000007 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 31.34 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.230000000000004 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 333' ' ' LEU . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.400000000000006 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.129999999999995 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 61.219999999999999 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.299999999999997 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.329999999999998 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.439999999999998 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 62.409999999999997 110.874 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.856 0.36 . . . . 75.540000000000006 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.140000000000001 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.519999999999996 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.219999999999999 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 63.039999999999999 111.099 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.329999999999998 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 73.310000000000002 110.932 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 51.509999999999998 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.129999999999995 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 331' ' ' LEU . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.862 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.5 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.310000000000002 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 21.350000000000001 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.130000000000003 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.420000000000002 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.420000000000002 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 61.119999999999997 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.919 -179.912 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.81 0.338 . . . . 64.120000000000005 110.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.039999999999999 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 70.5 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 55.340000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 42.329999999999998 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.039999999999999 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.539999999999999 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 51.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 61.009999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 61.049999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.913 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.310000000000002 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 331' ' ' LEU . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.420000000000002 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 73.019999999999996 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 60.229999999999997 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 40.140000000000001 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 65.129999999999995 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 74.150000000000006 110.935 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 54.439999999999998 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.310000000000002 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 60.409999999999997 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.876 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 53.149999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 44.119999999999997 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.049999999999997 110.892 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 111.1 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.209999999999994 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.349999999999994 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 65.310000000000002 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.030000000000001 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 337' ' ' LEU . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.099999999999994 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 336' ' ' LEU . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.430000000000007 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 41.229999999999997 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 64.239999999999995 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.109999999999999 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.040000000000006 110.93 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.839 0.352 . . . . 62.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.420000000000002 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.219999999999999 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 61.200000000000003 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 51.100000000000001 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.549999999999997 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 70.040000000000006 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 332' ' ' LEU . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 70.430000000000007 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.140000000000001 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.019999999999996 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 61.310000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 60.210000000000001 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.450000000000003 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 64.120000000000005 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 71.120000000000005 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 60.130000000000003 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.530000000000001 110.904 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.862 0.363 . . . . 65.299999999999997 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.510000000000005 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 51.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.140000000000001 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.53 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.239999999999995 110.915 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 64.340000000000003 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.049999999999997 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 110.937 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.340000000000003 110.905 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.310000000000002 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.040000000000006 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 63.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 337' ' ' LEU . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.140000000000001 110.904 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.519999999999996 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.019999999999996 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.210000000000001 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 50.229999999999997 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.540000000000006 110.897 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.898 0.38 . . . . 64.430000000000007 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 61.329999999999998 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.450000000000003 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 55.109999999999999 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.149999999999999 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 44.119999999999997 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 51.109999999999999 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 65.540000000000006 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.519999999999996 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.140000000000001 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.120000000000005 110.886 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.420000000000002 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.150000000000006 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.099999999999994 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 62.109999999999999 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 53.399999999999999 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.219999999999999 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 33.229999999999997 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.540000000000006 110.933 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.876 0.37 . . . . 73.340000000000003 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 64.340000000000003 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.210000000000001 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.010000000000005 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 55.210000000000001 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.618 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.519999999999996 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.130000000000003 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.430000000000007 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.329999999999998 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.129999999999995 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 62.119999999999997 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 55.240000000000002 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 70.329999999999998 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.409999999999997 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.230000000000004 110.899 -179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.866 0.365 . . . . 72.5 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 65.310000000000002 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 53.100000000000001 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.150000000000006 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 325' ' ' ALA . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 64.219999999999999 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.030000000000001 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 321' ' ' GLU . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.093 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 53.240000000000002 110.9 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 70.230000000000004 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 61.439999999999998 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 332' ' ' LEU . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.903 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.420000000000002 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.150000000000006 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 72.25 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.530000000000001 110.922 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.359 . . . . 72.239999999999995 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.549999999999997 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 53.299999999999997 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' GLN . . . . . 0.557 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 62.130000000000003 110.94 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 45.310000000000002 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.319999999999993 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.210000000000001 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.530000000000001 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.200000000000003 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.340000000000003 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.010000000000005 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.039999999999999 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 53.520000000000003 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.150000000000006 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 61.130000000000003 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 72.439999999999998 110.926 -179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.84 0.352 . . . . 74.349999999999994 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 56.72 45.03 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 73.439999999999998 110.944 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.73 82.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 61.020000000000003 111.102 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -55.29 -61.35 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.099999999999994 110.898 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -59.58 -36.42 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.8 m -64.79 -35.87 82.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 55.25 111.099 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -62.69 -61.3 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.895 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.24 -38.48 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.932 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.17 -33.17 71.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.439999999999998 111.059 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.21 71.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 75.299999999999997 111.109 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.52 -48.8 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 70.439999999999998 111.09 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.645 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.51 -31.41 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 61.030000000000001 110.943 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -79.05 -36.65 40.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 70.310000000000002 110.876 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.26 -52.43 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 64.439999999999998 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 -60.11 -36.79 78.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 63.130000000000003 110.863 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.7 mp -58.27 -43.01 87.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.319999999999993 110.883 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.81 -44.88 70.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 34.240000000000002 111.112 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -55.52 -40.91 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 70.230000000000004 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.95 -49.52 24.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 40.109999999999999 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.7 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.086 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 3.2 m -71.83 -36.39 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.89 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -52.15 -59.85 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 61.039999999999999 110.858 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.79 -36.37 84.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.912 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.44 -64.66 0.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 71.510000000000005 110.882 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.8 mt -53.39 -36.24 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 73.400000000000006 110.908 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -62.11 -36.21 81.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 70.030000000000001 110.905 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -57.77 -36.25 71.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 63.450000000000003 110.874 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.79 -60.39 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 54.329999999999998 110.934 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.5 tt -53.13 -53.27 52.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 43.340000000000003 110.903 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -52.36 -37.08 55.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 110.898 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.87 -56.15 26.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.72 . . . . 54.25 112.446 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -73.2 -34.76 57.76 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 74.099999999999994 112.464 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.54 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 75.219999999999999 111.099 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -75.39 -41.57 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.861 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -63.52 -61.72 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 65.540000000000006 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.18 -36.51 70.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 63.439999999999998 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.49 -41.66 56.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 71.519999999999996 112.432 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.5 tt -84.38 100.16 11.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 75.109999999999999 110.899 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 64.239999999999995 112.512 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.826 0.346 . . . . 72.129999999999995 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -87.0 173.42 9.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.503 . . . . 43.32 110.938 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.85 -39.36 58.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 41.119999999999997 111.124 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.5 -59.2 4.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 61.299999999999997 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.92 -35.83 67.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.137 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.8 -35.81 45.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 53.310000000000002 111.119 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -61.2 -65.88 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 71.400000000000006 110.874 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -54.48 -36.14 63.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.14 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 64.400000000000006 111.062 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.32 71.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.209999999999994 111.064 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.72 8.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 61.520000000000003 111.146 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.32 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.921 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -79.68 -38.15 34.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.409999999999997 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.51 -50.13 60.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 73.120000000000005 110.925 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -58.92 -55.77 30.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 75.239999999999995 110.861 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.9 mp -58.05 -39.97 79.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 110.957 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.45 50.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 61.340000000000003 111.143 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -52.47 -40.69 62.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 75.319999999999993 110.885 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -88.41 -45.09 10.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.94 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.72 -36.41 57.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.540000000000006 111.055 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.8 m -70.98 -36.38 72.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 72.329999999999998 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -52.05 -64.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 73.420000000000002 110.887 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.1 pp -57.18 -36.09 70.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 74.510000000000005 110.945 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.02 -67.4 0.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.952 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 5.1 mp -57.81 -36.04 71.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.510000000000005 110.892 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -54.62 -40.64 69.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.923 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -55.67 -36.19 66.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.918 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.76 -67.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 72.439999999999998 110.936 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 337' ' ' LEU . 8.9 tt -59.13 -46.38 88.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 73.329999999999998 110.9 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -52.01 -36.17 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.915 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -60.86 -46.5 94.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.771 -0.728 . . . . 71.409999999999997 112.479 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -78.24 -36.54 30.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 71.030000000000001 112.495 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.03 -38.42 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 70.349999999999994 111.091 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -79.36 -42.2 26.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 54.539999999999999 110.886 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -57.03 -54.86 41.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.949 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.36 -36.72 66.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 70.340000000000003 110.889 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -58.3 -36.8 84.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 63.140000000000001 112.455 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.67 -59.25 2.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.367 . . . . 71.209999999999994 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 72.140000000000001 112.472 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.812 0.339 . . . . 73.349999999999994 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -64.73 179.71 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.71 89.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 111.112 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -53.5 -61.29 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.409999999999997 110.915 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 51.509999999999998 111.052 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -63.8 -35.81 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 51.439999999999998 111.106 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -63.53 -61.16 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.120000000000005 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -52.15 -36.89 52.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.891 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.21 -33.13 71.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 73.439999999999998 111.1 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.42 -33.33 71.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 74.530000000000001 111.091 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.75 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.106 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.647 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.29 25.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 73.040000000000006 110.888 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -79.69 -38.14 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.874 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.37 -61.62 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 72.430000000000007 110.844 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -52.27 -36.94 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.120000000000005 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.2 mp -69.33 -38.86 78.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 65.400000000000006 110.89 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -51.75 -36.2 46.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.091 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -55.12 -43.24 73.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.849 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -83.43 -40.38 19.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 63.119999999999997 110.937 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.87 -44.0 66.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 63.329999999999998 111.086 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 16.5 m -76.63 -36.55 57.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.510000000000005 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.6 -50.19 66.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 52.329999999999998 110.895 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.75 -37.21 59.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 65.200000000000003 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 10.6 tp -52.16 -56.88 11.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.972 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.32 -36.68 53.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 64.510000000000005 110.876 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -36.72 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.851 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -55.9 -37.71 69.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 75.400000000000006 110.864 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.81 -48.47 7.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 72.400000000000006 110.967 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.44 -47.14 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 75.120000000000005 110.953 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -54.17 -40.87 67.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.958 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.1 -34.44 73.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 54.240000000000002 112.468 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.26 -34.31 9.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 72.319999999999993 112.491 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.62 -37.48 78.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 73.329999999999998 111.076 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -69.2 -40.91 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.140000000000001 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -54.49 -49.32 70.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.319999999999993 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -74.88 -39.13 61.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.85 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.74 -63.91 4.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.709 -0.757 . . . . 25.34 112.511 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -134.94 155.26 51.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.347 . . . . 64.439999999999998 110.941 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 74.209999999999994 112.47 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 74.439999999999998 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -153.15 141.42 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.219999999999999 110.918 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.11 -36.79 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.210000000000001 111.118 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.32 -68.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 110.88 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.6 -36.65 62.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 70.0 111.084 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.0 m -56.17 -35.78 67.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 63.140000000000001 111.123 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -62.33 -64.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 64.030000000000001 110.89 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -52.27 -37.92 56.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.874 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.91 -33.21 71.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 34.299999999999997 111.129 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.35 -33.3 71.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 54.119999999999997 111.153 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.82 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 54.340000000000003 111.125 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.595 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.59 -31.31 24.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 72.109999999999999 110.932 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -79.67 -36.77 37.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 60.039999999999999 110.89 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.79 -61.11 2.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 63.219999999999999 110.902 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -53.01 -36.77 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 75.239999999999995 110.882 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.595 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.1 mp -69.03 -39.87 78.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 61.210000000000001 110.922 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.54 58.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 63.409999999999997 111.073 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.16 -48.65 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.852 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.86 -40.54 72.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.439 . . . . 72.439999999999998 110.9 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.71 -39.99 59.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 44.229999999999997 111.084 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 26.9 t -71.89 -36.48 70.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.010000000000005 110.81 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.98 -56.32 14.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.488 . . . . 74.340000000000003 110.881 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.81 -36.92 67.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 61.439999999999998 110.899 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.411 ' CD2' HD22 ' A' ' 333' ' ' LEU . 9.3 tt -55.07 -54.85 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 54.530000000000001 110.978 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 332' ' ' LEU . 3.7 mm? -58.61 -39.53 80.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 75.519999999999996 110.911 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -54.16 -36.27 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.430000000000007 110.888 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -55.82 -37.77 69.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 74.530000000000001 110.947 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.9 mp -87.24 -50.63 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 44.450000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.1 tt -52.06 -46.56 65.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 63.240000000000002 110.93 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -53.82 -39.91 65.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.909 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.69 -54.41 35.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.725 . . . . 52.140000000000001 112.422 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -72.15 -34.04 61.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 61.020000000000003 112.48 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.88 -39.1 58.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 41.119999999999997 111.088 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -69.92 -41.31 74.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.530000000000001 110.882 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -65.03 -44.42 89.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.140000000000001 110.943 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -63.72 -46.34 85.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.040000000000006 110.849 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.07 -59.93 8.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 64.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.96 80.39 1.94 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.88 0.371 . . . . 73.329999999999998 110.905 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.471 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 51.240000000000002 110.847 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -125.79 122.6 36.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 63.119999999999997 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.94 -37.65 64.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.310000000000002 111.097 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -57.01 -57.12 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.310000000000002 110.891 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.85 -36.95 83.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.340000000000003 111.055 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.3 m -52.19 -35.82 50.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 53.119999999999997 111.154 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -63.96 -64.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 54.43 110.906 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -53.75 -38.22 64.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.888 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.16 71.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 31.329999999999998 111.12 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.34 -33.33 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 71.549999999999997 111.115 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.48 -48.79 8.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 74.109999999999999 111.095 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -31.43 23.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.936 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -75.9 -36.1 59.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 41.020000000000003 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -68.33 -57.31 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.349999999999994 110.878 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -52.02 -42.74 63.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 63.140000000000001 110.881 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.08 -39.25 79.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 110.941 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.78 -37.41 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 43.009999999999998 111.137 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -53.71 -46.12 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 61.210000000000001 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -77.66 -39.31 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 72.340000000000003 110.962 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.67 66.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.9 t -78.02 -37.11 47.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 31.34 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -53.43 -56.02 20.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 71.310000000000002 110.877 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.85 -36.81 80.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 71.400000000000006 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 51.1 tp -55.54 -39.16 70.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 60.450000000000003 110.889 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.77 -41.28 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.919 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -57.82 -36.34 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 53.109999999999999 110.923 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -54.65 -38.81 67.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 65.349999999999994 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.06 -50.31 7.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 74.540000000000006 110.925 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 7.1 tt -52.01 -36.85 51.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 110.939 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -63.41 -38.77 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.430000000000007 110.887 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -69.63 -46.87 52.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 63.32 112.462 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -70.75 -39.12 66.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 73.409999999999997 112.485 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -58.8 -38.71 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 74.519999999999996 111.08 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.73 -38.42 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 74.439999999999998 110.861 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -60.8 -36.99 80.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 63.200000000000003 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -83.76 -37.29 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 110.886 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.4 -65.97 3.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.777 -0.725 . . . . 62.450000000000003 112.435 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.4 mt -128.98 162.9 26.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 65.430000000000007 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 71.109999999999999 112.478 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 31.7 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.812 0.339 . . . . 40.409999999999997 110.822 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 -121.75 161.33 22.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.961 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.72 -39.71 62.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.439999999999998 111.064 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.51 -57.18 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 73.200000000000003 110.854 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.8 78.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 42.149999999999999 111.094 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.6 m -51.87 -35.65 45.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 111.139 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.47 -64.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 54.520000000000003 110.894 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -53.61 -36.55 62.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.420000000000002 110.936 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.14 72.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.030000000000001 111.082 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.38 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 64.340000000000003 111.077 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.77 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 111.115 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.61 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.69 -31.25 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 70.120000000000005 110.92 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -79.55 -37.75 35.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 52.25 110.884 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.2 -61.61 2.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -52.13 -36.85 52.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.520000000000003 110.878 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 320' ' ' GLN . 5.9 mp -69.13 -37.61 78.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 65.439999999999998 110.878 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.53 -39.85 61.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 35.409999999999997 111.088 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.36 -39.53 92.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.319999999999993 110.895 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.65 -38.43 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.140000000000001 110.939 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.29 -45.53 65.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 111.081 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 10.8 t -75.83 -36.91 59.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.349999999999994 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -52.19 -65.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 74.329999999999998 110.881 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.8 pp -53.48 -38.07 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 73.140000000000001 110.952 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 331' ' ' LEU . 4.6 tt -54.58 -44.8 73.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 74.040000000000006 110.916 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.527 HD23 ' O ' ' A' ' 333' ' ' LEU . 2.8 tt -73.17 -37.52 66.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.925 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.4 -36.75 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 110.897 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -56.37 -36.59 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 61.43 110.905 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.4 mp -87.36 -52.71 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 72.549999999999997 110.903 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.01 -52.39 50.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.43 110.927 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -53.22 -39.84 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 53.310000000000002 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.27 -49.47 63.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 65.409999999999997 112.506 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -76.83 -33.54 46.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 55.130000000000003 112.479 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.9 -55.4 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 74.519999999999996 111.086 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -69.81 -40.17 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.886 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -53.46 -46.33 69.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 62.109999999999999 110.951 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 -80.8 -36.56 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 62.450000000000003 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -56.02 -52.37 49.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 62.140000000000001 112.505 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 27.0 tp -114.8 -72.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 53.409999999999997 110.94 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 50.219999999999999 112.52 179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.864 0.364 . . . . 73.109999999999999 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -58.82 125.85 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 55.310000000000002 110.944 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.04 -35.75 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.229999999999997 111.136 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -56.53 -57.31 12.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 71.109999999999999 110.883 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.64 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 61.229999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 93.5 m -54.13 -35.63 62.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 65.209999999999994 111.172 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -63.31 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -53.01 -36.2 60.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 73.209999999999994 110.942 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.33 -33.13 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 70.010000000000005 111.142 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.45 -33.27 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 65.549999999999997 111.073 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.77 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 51.530000000000001 111.126 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.576 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.64 -31.32 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 70.209999999999994 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -78.4 -36.5 45.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 74.519999999999996 110.826 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.1 -55.54 7.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.915 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -53.45 -36.25 61.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.867 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.5 mp -62.81 -40.47 97.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.109999999999999 110.917 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.04 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.146 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.16 -46.57 33.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.040000000000006 110.895 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 8.1 mt -55.22 -36.71 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 75.120000000000005 110.904 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.24 -38.82 59.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 111.102 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 5.3 t -71.65 -36.35 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 65.439999999999998 110.876 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -51.97 -68.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 110.847 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -36.57 63.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 53.450000000000003 110.931 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.97 -51.61 69.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.891 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.86 -38.17 84.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 61.039999999999999 110.923 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -59.15 -36.32 75.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.927 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -57.93 -36.49 72.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.209999999999994 110.902 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.22 -60.77 2.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 61.020000000000003 110.909 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.8 tt -52.17 -46.92 65.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 73.049999999999997 110.928 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -52.41 -36.99 55.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.917 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -56.78 -41.33 90.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 43.25 112.516 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -86.56 -34.54 11.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 72.209999999999994 112.518 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -55.26 -45.79 76.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.772 0.32 . . . . 42.210000000000001 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -67.23 -39.76 86.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.019999999999996 110.873 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -62.24 -59.26 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 53.310000000000002 110.897 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 33.3 tpt85 -62.22 -36.46 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.84 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.95 -51.0 55.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 61.030000000000001 112.477 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 18.2 mt -127.85 135.31 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.353 . . . . 45.119999999999997 110.932 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 60.539999999999999 112.494 179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.87 0.367 . . . . 63.140000000000001 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.14 75.46 9.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 72.310000000000002 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.86 66.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.239999999999995 111.089 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -53.01 -61.01 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.549999999999997 110.887 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.32 73.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 111.056 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.3 m -61.4 -36.87 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 61.409999999999997 111.128 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -60.12 -61.53 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.210000000000001 110.856 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -54.98 -36.87 65.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.937 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.51 -33.13 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.045 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.3 71.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 111.128 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.44 -48.82 8.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 45.200000000000003 111.075 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -31.37 24.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 72.230000000000004 110.937 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -78.28 -36.47 46.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 75.120000000000005 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 17.8 mt-10 -70.9 -53.52 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.877 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -53.8 -57.37 11.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 64.230000000000004 110.871 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.15 -37.53 54.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 61.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -56.72 -41.91 78.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 74.209999999999994 111.083 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.75 -42.62 70.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.109999999999999 110.848 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.24 -36.12 82.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.933 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.92 -45.71 64.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.210000000000001 111.09 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.39 -36.42 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 51.310000000000002 110.837 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.32 -55.93 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.888 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 332' ' ' LEU . 3.3 pp -64.4 -43.1 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 331' ' ' LEU . 9.6 tp -53.97 -36.72 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.530000000000001 110.933 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.74 -38.05 79.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.32 110.909 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -62.97 -36.17 82.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 71.109999999999999 110.903 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -53.04 -36.26 60.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.944 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.11 -60.27 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 73.019999999999996 110.913 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.17 -57.05 10.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.897 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -52.44 -37.69 57.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.915 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.88 -41.69 84.54 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 75.319999999999993 112.505 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -87.82 -33.59 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 71.329999999999998 112.46 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.99 -35.8 71.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 43.299999999999997 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -76.19 -48.63 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 70.319999999999993 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.38 -60.59 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 60.43 110.911 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.35 -35.88 74.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.916 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.64 -34.67 44.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 72.030000000000001 112.442 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.17 -175.82 3.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 75.049999999999997 110.886 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 74.400000000000006 112.5 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.836 0.351 . . . . 73.049999999999997 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -55.33 138.82 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 73.030000000000001 110.931 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -55.08 -36.34 65.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -59.91 -66.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.329999999999998 110.86 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.67 -36.1 56.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 111.114 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 88.5 m -62.57 -35.75 80.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.32 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 65.099999999999994 110.843 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -52.15 -36.17 50.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 50.200000000000003 110.953 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.46 -33.13 72.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 111.076 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.31 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 62.240000000000002 111.13 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.42 -48.83 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 75.019999999999996 111.124 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -31.31 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 70.450000000000003 110.95 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.27 -35.9 47.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 75.329999999999998 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -72.95 -54.25 9.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 63.409999999999997 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -52.77 -37.14 59.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 71.109999999999999 110.899 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.47 -39.35 67.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 65.25 110.928 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -59.67 -35.92 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.340000000000003 111.108 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -65.78 -55.45 17.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.420000000000002 110.888 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -61.07 -39.7 90.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 72.010000000000005 110.91 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.85 -47.74 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 74.409999999999997 111.076 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 20.8 t -75.23 -37.79 60.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.886 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.03 -64.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 75.319999999999993 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 331' ' ' LEU . 3.7 pp -53.34 -35.99 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 11.8 tp -63.12 -64.74 0.82 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 63.100000000000001 110.942 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.85 -40.51 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -54.19 -36.66 63.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 70.150000000000006 110.891 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -57.15 -36.4 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 74.340000000000003 110.944 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 5.7 mp -87.97 -50.35 6.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 74.239999999999995 110.893 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 4.9 tt -52.71 -40.99 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 110.915 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -55.83 -45.11 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.919 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.13 -39.73 58.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 75.420000000000002 112.454 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -82.63 -37.67 13.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 64.319999999999993 112.476 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -59.06 -35.91 74.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.749 0.309 . . . . 73.109999999999999 111.087 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -72.71 -37.39 67.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 62.439999999999998 110.892 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -60.24 -40.1 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.915 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -38.68 91.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 74.010000000000005 110.871 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -73.9 -67.3 1.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.749 . . . . 70.040000000000006 112.467 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -124.91 179.34 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.030000000000001 110.959 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 64.109999999999999 112.53 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 53.43 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -128.07 149.52 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 63.399999999999999 110.899 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -54.78 -39.12 68.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 31.309999999999999 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -57.02 -60.3 3.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 72.340000000000003 110.895 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.48 87.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 64.549999999999997 111.076 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.0 m -52.11 -35.82 49.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.131 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -63.85 -64.46 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -53.69 -37.97 63.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 52.530000000000001 110.891 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.0 -33.18 71.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 65.030000000000001 111.112 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.4 -33.38 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 111.087 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.38 -48.83 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 111.081 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.58 -31.39 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.310000000000002 110.871 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.0 -36.1 56.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 60.420000000000002 110.877 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -73.1 -49.92 25.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.885 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.4 -62.05 1.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.010000000000005 110.885 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.4 mp -52.02 -36.73 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.519999999999996 110.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 75.109999999999999 111.091 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -52.16 -59.51 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.209999999999994 110.877 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.37 -43.48 96.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 71.129999999999995 110.964 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.89 -40.68 61.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 70.439999999999998 111.118 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 8.1 t -71.87 -36.55 70.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.824 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.18 -57.09 10.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.42 -36.19 71.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 55.130000000000003 110.88 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.3 -58.42 8.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 110.926 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.8 mp -52.36 -35.97 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 110.927 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.32 -37.29 86.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.927 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.82 -35.71 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.894 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.96 -66.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.912 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.64 -46.08 90.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 110.883 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.94 -42.37 62.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.215 -0.448 . . . . 54.340000000000003 110.92 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.73 -41.42 57.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.745 . . . . 71.109999999999999 112.477 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -85.59 -34.97 12.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.737 . . . . 72.129999999999995 112.486 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -65.65 -36.64 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.76 0.314 . . . . 72.430000000000007 111.08 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 58.7 mtp85 -71.39 -43.0 67.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 74.510000000000005 110.895 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -63.74 -55.57 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 61.210000000000001 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -54.29 -39.83 67.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 65.519999999999996 110.848 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.25 76.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 41.350000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 35.3 tp -102.96 98.95 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 65.120000000000005 110.916 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 60.439999999999998 112.498 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.785 0.326 . . . . 74.25 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 60.21 36.7 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 63.409999999999997 110.915 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.14 84.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 64.030000000000001 111.074 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.64 -56.97 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 63.210000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.73 -37.09 86.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 64.519999999999996 111.072 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.8 m -52.26 -35.63 50.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.177 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -63.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.87 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.5 -37.23 56.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 72.450000000000003 110.882 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.12 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.092 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.51 -33.31 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.409999999999997 111.096 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.39 -48.86 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 62.299999999999997 111.111 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -31.33 22.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -78.11 -35.93 48.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 61.509999999999998 110.828 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.18 -53.53 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 62.509999999999998 110.869 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -54.0 -37.89 64.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 74.329999999999998 110.86 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.9 -38.53 66.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.140000000000001 110.927 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -53.99 -38.53 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 62.119999999999997 111.126 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -72.29 -36.59 68.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 71.430000000000007 110.828 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 12.4 mt -59.99 -36.05 76.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 73.209999999999994 110.911 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -41.78 61.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 31.34 111.093 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.1 t -78.21 -36.48 47.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.230000000000004 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -51.98 -62.69 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 110.874 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.4 pp -51.94 -36.55 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 55.43 110.86 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -63.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.935 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 333' ' ' LEU . 8.3 tt -62.89 -35.89 81.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 73.129999999999995 110.893 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -52.07 -40.91 61.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.25 110.912 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.37 -36.11 70.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.899 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.55 -67.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 75.400000000000006 110.972 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 337' ' ' LEU . 9.1 tt -57.93 -44.34 86.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 62.43 110.933 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -51.94 -36.45 49.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 110.947 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -72.36 -59.65 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 75.129999999999995 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -56.5 -39.81 85.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 61.219999999999999 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.08 70.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 73.299999999999997 111.073 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -78.15 -36.19 47.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.329999999999998 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -56.34 -49.58 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.892 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -54.89 -37.71 66.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.896 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -61.48 -69.28 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.764 . . . . 74.439999999999998 112.527 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 51.5 tp -145.5 142.98 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 62.409999999999997 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 61.210000000000001 112.487 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 72.129999999999995 110.918 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -101.21 -36.1 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 72.140000000000001 110.872 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.71 -38.26 54.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 52.240000000000002 111.097 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.94 -66.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 75.540000000000006 110.88 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.27 -35.91 60.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 70.129999999999995 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -67.51 -35.66 79.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 64.140000000000001 111.15 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -57.27 -66.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.844 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -51.97 -36.04 48.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.299999999999997 110.926 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.09 73.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 65.239999999999995 111.046 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.4 71.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 71.340000000000003 111.118 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.43 -48.81 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 72.310000000000002 111.124 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -31.3 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 74.510000000000005 110.94 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.27 -37.32 45.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.510000000000005 110.913 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 13.0 tm-20 -69.27 -55.86 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 71.519999999999996 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -52.06 -59.29 4.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.219999999999999 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.92 -36.52 49.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 110.937 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -51.76 -36.69 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 63.039999999999999 111.099 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.93 -36.29 65.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 63.329999999999998 110.864 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.8 tt -59.54 -38.0 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 73.310000000000002 110.932 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.45 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 51.509999999999998 111.131 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.3 t -76.18 -36.41 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.887 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -52.1 -57.54 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 71.129999999999995 110.825 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.0 pp -63.14 -36.15 82.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.899 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 331' ' ' LEU . 12.8 tp -57.78 -48.03 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.340000000000003 110.862 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 17.2 tp -54.31 -37.15 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 55.5 110.918 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.69 -36.1 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.868 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -54.45 -36.15 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 110.936 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.76 -70.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 72.310000000000002 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -51.88 -39.55 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.230000000000004 110.937 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -63.55 -44.54 93.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 110.923 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.43 -45.78 58.57 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.507 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -81.84 -34.23 25.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.761 . . . . 21.350000000000001 112.495 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.45 -57.18 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 63.130000000000003 111.096 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.31 -36.36 63.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 72.420000000000002 110.862 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.78 -45.55 78.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 65.420000000000002 110.903 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -52.39 -36.07 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.822 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.67 -48.49 65.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 61.119999999999997 112.492 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.54 150.87 28.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 71.299999999999997 110.919 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 55.43 112.519 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.842 0.353 . . . . 63.130000000000003 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -111.9 146.88 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 71.040000000000006 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.47 -36.2 54.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 111.104 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -56.35 -67.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 64.120000000000005 110.864 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.27 65.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 63.039999999999999 111.065 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 91.5 m -63.66 -37.4 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 111.154 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -59.66 -62.25 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 70.5 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -52.59 -36.36 55.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 55.340000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.85 -33.21 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 42.329999999999998 111.075 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.44 -33.29 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 63.039999999999999 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.45 -48.77 8.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.010000000000005 111.078 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -31.33 24.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.539999999999999 110.907 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -77.64 -36.86 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 51.340000000000003 110.862 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -71.28 -50.76 29.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 61.009999999999998 110.868 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -56.23 -61.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 75.200000000000003 110.885 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -53.18 -41.39 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 65.299999999999997 110.922 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -52.14 -36.82 52.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 74.099999999999994 111.097 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -72.6 -38.13 67.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 61.049999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -63.44 -39.21 93.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 110.913 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -56.92 -41.63 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 75.040000000000006 111.1 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 60.9 m -74.71 -36.79 62.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.894 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -53.74 -63.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 74.310000000000002 110.846 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 332' ' ' LEU . 4.2 pp -56.11 -36.08 67.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.140000000000001 110.893 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 331' ' ' LEU . 7.3 tt -58.34 -49.24 77.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.921 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 6.0 tt -65.33 -35.97 82.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 110.928 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -62.12 -38.6 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.310000000000002 110.895 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -55.07 -35.8 64.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 70.340000000000003 110.867 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.1 mt -59.38 -67.17 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.904 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 6.8 tt -59.09 -47.86 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.908 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -51.89 -36.07 47.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 74.420000000000002 110.949 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.4 -40.39 94.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 73.019999999999996 112.504 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.55 -33.46 10.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.735 . . . . 60.229999999999997 112.462 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.62 -47.83 66.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 40.140000000000001 111.119 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -36.7 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.837 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -78.56 -41.82 30.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.944 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -58.39 -44.55 89.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.851 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -57.63 -51.53 57.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 65.129999999999995 112.474 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.3 mp -106.4 101.74 11.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 74.150000000000006 110.935 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 72.319999999999993 112.462 179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.794 0.33 . . . . 63.409999999999997 110.853 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.95 54.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 62.140000000000001 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.64 -36.83 62.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 44.420000000000002 111.082 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.27 -67.17 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 54.439999999999998 110.913 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.64 -37.56 58.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.349999999999994 111.125 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 61.3 m -62.62 -37.41 86.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 111.175 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.6 tpt180 -60.26 -62.79 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 72.140000000000001 110.83 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -52.31 -37.2 55.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 64.530000000000001 110.912 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.08 -33.22 71.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 61.310000000000002 111.124 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.36 -33.29 71.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 75.010000000000005 111.109 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -85.47 -48.8 8.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 60.409999999999997 111.098 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.563 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.54 -31.44 24.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.876 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.06 -43.06 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 63.539999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.473 ' O ' ' HB3' ' A' ' 325' ' ' ALA . 30.4 mm-40 -59.7 -58.31 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 53.149999999999999 110.868 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -51.93 -57.61 8.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 44.119999999999997 110.87 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 320' ' ' GLN . 6.9 mp -51.97 -36.14 48.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 75.049999999999997 110.892 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 322' ' ' GLU . . . -57.06 -35.99 69.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 72.200000000000003 111.1 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.7 -37.06 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 72.400000000000006 110.887 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 21.3 tp -77.46 -39.46 46.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 71.209999999999994 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.78 62.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.100000000000001 111.088 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 40.8 t -72.87 -36.48 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 65.319999999999993 110.849 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -51.94 -64.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 65.349999999999994 110.856 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.7 pp -57.64 -35.96 71.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 73.319999999999993 110.926 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 3.8 tt -51.93 -46.04 64.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.885 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 7.3 tp -63.99 -35.77 81.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 65.310000000000002 110.945 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -35.28 78.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.030000000000001 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -60.92 -55.94 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.913 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 337' ' ' LEU . 1.7 pp -67.51 -47.44 69.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 73.099999999999994 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 336' ' ' LEU . 10.3 tt -55.91 -46.08 78.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 75.129999999999995 110.9 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -51.96 -37.8 54.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 74.310000000000002 110.932 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -64.45 -57.0 14.17 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 71.430000000000007 112.462 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.18 91.69 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 41.229999999999997 112.497 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -53.54 -40.69 65.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.759 0.314 . . . . 64.239999999999995 111.104 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -73.19 -37.2 66.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 62.109999999999999 110.861 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -52.36 -67.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.919 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -74.03 -36.0 64.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.319999999999993 110.836 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -54.64 -66.42 2.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 73.409999999999997 112.497 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -42.13 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 64.040000000000006 110.93 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.723 -0.751 . . . . 73.409999999999997 112.47 179.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.831 0.348 . . . . 72.430000000000007 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -145.94 168.78 20.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.519999999999996 110.934 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.38 60.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 63.340000000000003 111.125 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -62.77 -65.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 62.310000000000002 110.894 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -53.14 -35.78 60.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 111.1 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.0 m -55.7 -35.77 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.424 . . . . 74.430000000000007 111.101 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -64.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 62.420000000000002 110.892 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -52.0 -36.14 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 63.219999999999999 110.916 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.58 -33.63 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 61.200000000000003 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.25 67.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 111.093 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.44 -48.23 8.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.092 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -31.61 29.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 110.913 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -80.22 -35.9 35.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.430000000000007 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -69.53 -46.1 67.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.904 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -63.45 -60.72 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.864 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.0 mp -51.99 -39.08 58.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.71 -35.82 66.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 51.100000000000001 111.121 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -78.07 -41.59 34.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.030000000000001 110.882 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.09 -36.15 80.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.99 -38.78 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 53.549999999999997 111.135 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 46.4 t -78.35 -36.44 46.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -52.04 -53.99 35.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 70.040000000000006 110.832 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.9 pp -68.38 -37.99 80.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 72.010000000000005 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 332' ' ' LEU . 6.6 tt -52.85 -43.22 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 70.430000000000007 110.937 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 11.5 mt -69.34 -36.86 77.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 71.140000000000001 110.916 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.36 -42.08 73.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.040000000000006 110.885 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -57.31 -36.18 70.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.019999999999996 110.904 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.66 -67.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 61.310000000000002 110.875 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.05 -43.98 78.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 60.210000000000001 110.902 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -52.03 -36.16 49.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -58.35 -39.2 92.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 72.450000000000003 112.437 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.84 -33.51 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 64.120000000000005 112.512 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.79 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 54.25 111.071 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -64.95 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 71.120000000000005 110.86 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.87 -37.38 84.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -60.36 -38.65 84.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.883 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -64.83 -45.04 93.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.751 . . . . 60.130000000000003 112.458 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 28.8 tp -66.79 128.28 35.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.849 0.356 . . . . 74.530000000000001 110.904 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 74.319999999999993 112.456 179.87 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 74.019999999999996 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -117.72 103.18 9.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -51.95 -36.79 50.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 74.219999999999999 111.106 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.0 -66.2 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 65.299999999999997 110.908 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.11 66.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 73.120000000000005 111.128 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 89.7 m -64.06 -35.78 81.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.519999999999996 111.116 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -61.05 -61.58 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.510000000000005 110.87 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -53.32 -36.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.894 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.27 -30.19 68.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 51.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.81 -32.23 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.25 111.081 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.77 -43.17 17.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.140000000000001 111.056 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.53 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.52 -32.22 27.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 65.239999999999995 110.915 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -76.94 -36.25 56.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 64.340000000000003 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.55 -42.84 70.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.049999999999997 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.340000000000003 110.8 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -51.91 -41.71 62.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 110.937 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.59 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.101 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -61.82 -53.09 60.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.871 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 327' ' ' LEU . 0.3 OUTLIER -66.08 -39.46 90.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 71.340000000000003 110.905 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.69 92.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 53.310000000000002 111.06 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 33.8 t -75.68 -36.48 60.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.855 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -53.23 -59.08 5.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.859 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.78 -37.02 86.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 73.120000000000005 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 33.4 tp -53.37 -56.17 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 64.040000000000006 110.942 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 37.5 mt -59.85 -36.34 76.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 110.888 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.86 -36.35 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -52.3 -40.55 61.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.902 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.77 -44.76 9.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 63.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 337' ' ' LEU . 4.5 tt -52.08 -36.33 50.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 53.140000000000001 110.904 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.31 -37.62 77.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 65.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -76.67 -33.07 48.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.439 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -83.91 -33.55 20.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.807 -0.711 . . . . 64.519999999999996 112.477 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -51.71 -55.32 20.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 75.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.03 -36.46 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.019999999999996 110.843 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -73.86 -38.44 64.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 53.210000000000001 110.9 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -64.17 -41.03 97.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 63.219999999999999 110.838 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -53.32 -66.63 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.719 -0.753 . . . . 50.229999999999997 112.468 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.54 154.56 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 75.540000000000006 110.897 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 65.219999999999999 112.505 179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.853 0.358 . . . . 75.400000000000006 110.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -131.92 124.82 30.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 73.219999999999999 110.907 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -53.05 -36.72 60.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 62.32 111.093 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.9 -67.53 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -52.73 -36.32 57.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 61.329999999999998 111.108 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.0 m -52.02 -35.73 47.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 75.510000000000005 111.146 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -63.95 -64.79 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.893 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.2 -37.37 61.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 74.120000000000005 110.902 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.8 -33.65 70.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 72.040000000000006 111.072 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.31 68.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.094 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.47 -48.14 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.129 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -31.7 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.914 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -80.16 -35.91 35.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.879 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.82 -50.39 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 71.150000000000006 110.887 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -56.8 -60.06 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 71.329999999999998 110.887 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 9.6 mp -53.84 -42.05 68.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 73.450000000000003 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.16 -43.12 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 55.109999999999999 111.118 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -62.39 -43.12 99.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 60.149999999999999 110.913 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.1 mt -55.64 -36.28 66.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 44.119999999999997 110.92 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.65 62.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 51.109999999999999 111.068 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.2 t -74.94 -36.37 62.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 54.530000000000001 110.896 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -52.25 -51.33 59.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 74.230000000000004 110.867 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.24 -37.68 52.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.886 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 9.3 tt -57.15 -62.01 2.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 65.540000000000006 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.47 -36.08 54.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.943 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.57 -35.62 74.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 72.519999999999996 110.904 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -51.89 -61.1 2.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 71.140000000000001 110.985 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . 0.451 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.4 OUTLIER -73.14 -36.41 66.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 73.120000000000005 110.886 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 9.7 tt -54.8 -58.15 8.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 72.420000000000002 110.918 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -51.96 -37.2 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.913 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -55.44 -40.9 79.05 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 74.150000000000006 112.465 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.32 -37.14 7.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.791 -0.719 . . . . 75.099999999999994 112.463 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.37 -57.01 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 62.109999999999999 111.097 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -56.65 -38.99 72.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 53.399999999999999 110.865 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.53 -55.55 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.895 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -57.95 -40.43 80.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.471 . . . . 63.219999999999999 110.848 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.34 -41.12 54.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 33.229999999999997 112.476 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.09 92.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.885 0.374 . . . . 73.540000000000006 110.933 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 64.409999999999997 112.45 179.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.811 0.339 . . . . 73.099999999999994 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -76.18 147.64 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.908 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.1 78.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 61.240000000000002 111.093 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.93 -61.11 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 110.925 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.45 68.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 64.340000000000003 111.068 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 92.9 m -59.72 -36.25 76.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 63.210000000000001 111.146 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -62.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 71.340000000000003 110.873 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -56.07 -36.25 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 72.230000000000004 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.22 -30.15 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 111.122 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -80.01 -32.26 39.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.010000000000005 111.069 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.6 -43.09 17.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 55.210000000000001 111.126 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.618 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.4 -32.35 26.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.897 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -73.44 -39.08 65.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.838 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -66.67 -59.15 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.400000000000006 110.873 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -52.24 -36.42 52.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.519999999999996 110.831 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 320' ' ' GLN . 2.4 mp -60.77 -36.23 78.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 71.400000000000006 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.02 78.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.109999999999999 111.151 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -56.54 -42.95 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 53.130000000000003 110.872 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 11.8 mt -57.65 -36.03 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.430000000000007 110.893 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.79 -40.04 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 111.129 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 17.5 m -73.29 -36.43 66.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 73.430000000000007 110.903 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -52.5 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.505 . . . . 74.329999999999998 110.871 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -52.41 -36.22 53.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.916 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 2.7 tt -52.31 -60.79 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.891 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.33 -39.92 73.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.927 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -35.87 71.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 72.140000000000001 110.899 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -51.89 -65.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 72.129999999999995 110.949 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -37.54 78.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.921 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.36 -57.87 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 110.927 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -51.95 -38.13 55.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 62.119999999999997 110.886 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -53.08 -43.82 62.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 73.120000000000005 112.517 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -88.69 -33.5 10.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 55.240000000000002 112.439 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -54.08 -53.99 45.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 70.329999999999998 111.144 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -36.69 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.836 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -66.05 -40.34 90.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.209999999999994 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -74.94 -36.36 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.400000000000006 110.87 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.7 -61.29 6.93 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 72.409999999999997 112.462 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 3.0 pp -51.98 -36.49 49.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 64.230000000000004 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.796 -0.716 . . . . 63.420000000000002 112.502 179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.824 0.345 . . . . 64.319999999999993 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -55.67 117.68 3.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 74.349999999999994 110.954 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -52.27 -40.78 62.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 55.100000000000001 111.141 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -56.69 -56.78 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 72.5 110.848 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.51 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 65.310000000000002 111.076 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 95.5 m -51.85 -35.69 45.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.329999999999998 111.141 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -63.63 -64.31 0.93 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 53.100000000000001 110.881 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -54.14 -36.42 63.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.95 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -70.62 -33.68 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 73.510000000000005 111.127 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.23 67.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.119999999999997 111.096 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -87.43 -48.2 8.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 73.150000000000006 111.116 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -31.7 28.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 73.109999999999999 110.923 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 325' ' ' ALA . 21.0 pt-20 -80.23 -35.89 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -69.35 -46.07 67.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.540000000000006 110.897 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -63.8 -61.12 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 64.219999999999999 110.894 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . . . . . . . . . 8.7 mp -52.79 -36.05 57.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.030000000000001 110.935 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 321' ' ' GLU . . . -51.76 -35.8 45.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.230000000000004 111.093 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.2 -38.09 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 110.881 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 327' ' ' LEU . 0.4 OUTLIER -89.95 -47.73 7.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 53.240000000000002 110.9 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -51.78 -40.57 60.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.075 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 6.9 t -74.82 -36.39 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 72.510000000000005 110.868 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -52.08 -45.96 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 70.230000000000004 110.885 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.64 -36.01 24.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 61.439999999999998 110.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 332' ' ' LEU . 10.5 tt -59.36 -61.9 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 71.019999999999996 110.903 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.99 -35.93 48.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 71.230000000000004 110.917 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -63.07 -38.02 89.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 110.864 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -57.09 -35.77 69.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.409999999999997 110.88 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.24 -67.43 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 63.329999999999998 110.936 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 5.1 tt -58.63 -45.34 89.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -51.91 -35.72 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 110.946 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -78.42 -59.36 2.89 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.733 . . . . 53.420000000000002 112.455 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -53.78 -42.53 68.79 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.739 . . . . 74.150000000000006 112.44 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.84 62.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.803 0.335 . . . . 71.5 111.126 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -56.95 -36.08 69.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 73.420000000000002 110.89 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -82.4 -52.74 6.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.209999999999994 110.946 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -53.77 -42.4 68.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 71.519999999999996 110.928 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -52.27 -35.27 42.45 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.678 -0.772 . . . . 72.25 112.543 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 110.99 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 75.530000000000001 110.922 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 72.349999999999994 112.494 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 62.119999999999997 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 56.18 48.45 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 110.954 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.04 81.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -54.67 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 72.239999999999995 110.879 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -56.97 -35.88 69.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 111.063 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' THR . . . . . . . . . . . . . 94.9 m -60.01 -35.77 75.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 72.049999999999997 111.159 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 12.3 mmp_? -65.59 -60.82 2.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -53.37 -36.57 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 70.230000000000004 110.935 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . . . . . . . . . . . -69.17 -30.21 68.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 111.081 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' ALA . . . . . . . . . . . . . . . -79.98 -32.23 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 74.549999999999997 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.04 17.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 53.299999999999997 111.079 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' GLN . . . . . 0.557 ' O ' HD13 ' A' ' 324' ' ' LEU . 0.0 OUTLIER -51.46 -32.34 26.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.200000000000003 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -74.57 -37.87 62.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 53.240000000000002 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -68.55 -48.23 64.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.889 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -36.16 82.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 74.319999999999993 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 320' ' ' GLN . 1.0 OUTLIER -52.13 -58.3 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 62.130000000000003 110.94 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -55.54 -36.39 66.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 71.439999999999998 111.124 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.4 -54.33 45.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 74.109999999999999 110.845 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 327' ' ' LEU . 1.3 tt -59.75 -44.39 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 45.310000000000002 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.74 60.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.095 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' SER . . . . . . . . . . . . . 1.6 t -73.64 -36.6 65.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.825 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -52.05 -55.38 21.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 74.319999999999993 110.877 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.77 -36.06 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 62.210000000000001 110.882 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' LEU . . . . . . . . . . . . . 25.4 tp -57.35 -65.95 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 62.530000000000001 110.929 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.96 -37.52 64.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.109999999999999 110.967 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.99 -35.43 75.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 65.200000000000003 110.953 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -52.0 -61.66 2.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 72.340000000000003 110.91 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 336' ' ' LEU . 0.3 OUTLIER -72.82 -37.14 67.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.913 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.25 -57.33 11.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 74.010000000000005 110.914 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -51.91 -36.62 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 72.120000000000005 110.924 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLY . . . . . . . . . . . . . . . -52.98 -43.6 61.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.795 -0.717 . . . . 52.039999999999999 112.446 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' GLY . . . . . . . . . . . . . . . -89.78 -33.6 8.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.340000000000003 112.522 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -52.39 -54.52 30.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 53.520000000000003 111.121 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -61.57 -38.07 86.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 110.845 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -63.55 -37.55 87.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.89 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -53.16 -36.07 60.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.150000000000006 110.883 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' GLY . . . . . . . . . . . . . . . -55.79 -56.5 23.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 61.130000000000003 112.48 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 -47.6 70.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 72.439999999999998 110.926 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.673 -0.775 . . . . 73.340000000000003 112.496 179.903 . . . . . . . . 0 0 . 1 stop_ save_