data_1s5q_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1s5q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.53 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.712 0.291 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD13 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.546 HG23 HD13 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.485 ' HZ2' HD13 ' B' ' 372' ' ' LEU . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.476 HE22 ' HB2' ' B' ' 340' ' ' ARG . 0.0 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . 0.476 ' HB2' HE22 ' B' ' 336' ' ' GLN . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.702 0.287 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.459 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.431 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . 0.485 HD13 ' HZ2' ' B' ' 313' ' ' LYS . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.53 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.611 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.937 0.399 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 HG22 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.411 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.433 ' O ' HG22 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.433 HG22 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 25.1 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.621 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.616 0.246 . . . . 0.0 111.228 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 HD21 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.632 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . 0.575 ' HH ' ' HG2' ' B' ' 355' ' ' GLU . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.677 0.275 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . 0.575 ' HG2' ' HH ' ' B' ' 335' ' ' TYR . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG22 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.418 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 8.9 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.67 0.271 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.456 HE21 ' HG3' ' A' ' 14' ' ' GLU . 24.5 tp60 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' B' ' 303' ' ' GLU . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' HE21 ' A' ' 10' ' ' GLN . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD11 HG21 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.458 ' HB3' ' HE3' ' A' ' 11' ' ' MET . 46.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.723 0.297 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.544 ' HG3' HD21 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . 0.417 ' C ' HD21 ' B' ' 341' ' ' ASN . 0.2 OUTLIER -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.377 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' THR . . . . . 0.458 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG21 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.614 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.688 0.28 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 HG22 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.665 0.269 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.612 HG22 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . 0.453 ' HB2' ' HZ3' ' B' ' 313' ' ' LYS . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . 0.441 HG12 HD22 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD11 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.432 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' THR . . . . . 0.568 ' HG1' ' HG2' ' B' ' 357' ' ' GLU . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . 0.568 ' HG2' ' HG1' ' B' ' 354' ' ' THR . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.45 ' O ' HG22 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.45 HG22 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . 0.441 HD22 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 10.4 m120 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.681 0.277 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.567 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.416 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.515 ' HG2' HD22 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.515 HD22 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.421 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.664 0.269 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD13 HG21 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . 0.559 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.423 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.424 ' O ' HG22 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.624 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.593 HD12 HG21 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . 0.428 ' HE2' ' HG3' ' B' ' 375' ' ' GLU . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.593 HG21 HD12 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' THR . . . . . 0.413 HG21 HD22 ' B' ' 353' ' ' LEU . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 334' ' ' THR . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.669 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.669 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . 0.428 ' HG3' ' HE2' ' B' ' 306' ' ' HIS . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . 0.507 ' HH ' ' HG2' ' B' ' 355' ' ' GLU . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.642 0.258 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . 0.507 ' HG2' ' HH ' ' B' ' 335' ' ' TYR . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 4.1 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.687 0.28 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.428 HD11 ' ND2' ' A' ' 8' ' ' ASN . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HB2' HE21 ' B' ' 336' ' ' GLN . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.414 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.525 HE21 ' HB2' ' A' ' 10' ' ' GLN . 6.4 tp-100 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.421 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.57 0.224 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.517 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.299 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . 0.525 HD21 ' N ' ' B' ' 305' ' ' ASN . 0.9 OUTLIER -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . 0.525 HD21 ' N ' ' B' ' 309' ' ' ASN . 0.9 OUTLIER -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . 0.546 ' HA ' HE21 ' B' ' 339' ' ' GLN . 0.0 OUTLIER -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.717 0.294 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.422 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . 0.441 HD21 HD13 ' A' ' 9' ' ' ILE . 78.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG22 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . 0.561 HD21 ' N ' ' B' ' 341' ' ' ASN . 0.8 OUTLIER -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . 0.656 ' HB2' ' HZ3' ' B' ' 343' ' ' LYS . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.554 HG11 HG22 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.554 HG22 HG11 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.857 0.36 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.91 0.386 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 327' ' ' ALA . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.412 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . 0.412 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' THR . . . . . 0.402 ' O ' HG21 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.402 HG21 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.632 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . 0.412 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 304' ' ' PHE . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.562 ' HZ3' ' HB3' ' B' ' 326' ' ' LYS . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.465 ' O ' HG22 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . 0.616 ' HZ2' ' HB2' ' B' ' 367' ' ' LYS . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.515 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 120.633 0.254 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' HA ' HD11 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 HE21 ' B' ' 336' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD12 HG21 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . 0.444 HE21 HD13 ' A' ' 13' ' ' LEU . 8.5 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.456 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.73 0.3 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.432 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.599 ' HB3' HD11 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 8' ' ' ASN . 97.1 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.602 HD21 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.58 0.229 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.588 HG23 HD13 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.429 ' O ' HG22 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . 0.591 ' HZ1' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.602 ' HB3' HD21 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 8' ' ' ASN . 93.7 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 7.7 m120 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD13 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.402 ' CZ ' HD13 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.406 ' HB2' HD22 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . 0.491 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' B' ' 343' ' ' LYS . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.322 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.557 HG11 HG23 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.557 HG23 HG11 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.472 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.7 t-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . 0.646 ' HZ1' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.41 ' HB2' HD23 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . 0.462 ' HG2' HE21 ' B' ' 361' ' ' GLN . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . 0.493 ' O ' HG21 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . 0.462 HE21 ' HG2' ' B' ' 357' ' ' GLU . 79.2 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . 0.637 ' HB3' ' HZ2' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.579 HD21 HG12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.299 . . . . 0.0 111.502 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.579 HG12 HD21 ' A' ' 8' ' ' ASN . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.415 ' HE3' ' HG3' ' B' ' 303' ' ' GLU . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 303' ' ' GLU . . . . . 0.415 ' HG3' ' HE3' ' A' ' 11' ' ' MET . 8.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.763 0.316 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' ALA . . . . . 0.412 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' GLU . . . . . 0.554 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' ASN . . . . . 0.536 HD21 ' N ' ' B' ' 341' ' ' ASN . 0.9 OUTLIER -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . 0.554 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 373' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 379' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.53 98.74 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.53 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 -169.96 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.523 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD13 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.06 -59.5 4.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.775 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . 0.433 HD13 ' N ' ' B' ' 296' ' ' LEU . 5.8 mp 55.28 -169.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -143.39 -23.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.742 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -74.24 168.84 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -141.96 11.95 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . 0.53 HE21 ' HG3' ' B' ' 303' ' ' GLU . 21.8 tt0 -98.05 113.64 64.11 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.12 0.98 6.47 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.651 2.234 . . . . 0.0 112.717 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.45 -41.57 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.53 ' HG3' HE21 ' B' ' 300' ' ' GLN . 44.8 mt-10 -60.65 -41.29 94.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.546 HG23 HD13 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.485 ' HZ2' HD13 ' B' ' 372' ' ' LEU . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.433 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.45 ' HA ' HD11 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.476 HE22 ' HB2' ' B' ' 340' ' ' ARG . 0.0 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.459 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . 0.476 ' HB2' HE22 ' B' ' 336' ' ' GLN . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.27 -18.17 21.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -77.46 -3.6 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 91.4 -63.83 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -169.9 -49.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.63 95.5 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -173.78 143.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -121.54 104.74 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.65 150.96 87.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.409 2.073 . . . . 0.0 112.317 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.78 -8.09 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.459 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.431 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.431 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . 0.538 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.538 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . 0.485 HD13 ' HZ2' ' B' ' 313' ' ' LYS . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.53 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt -68.58 131.28 91.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -173.72 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.42 2.08 . . . . 0.0 112.265 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.4 90.09 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.074 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . 12.8 mmm180 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.2 ttp -96.22 40.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.611 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 -139.01 -73.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.34 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HG3' ' HB2' ' A' ' 6' ' ' ARG . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.597 HD12 HG22 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 84.0 mt -107.01 -171.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -103.57 163.41 12.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -127.95 -39.99 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -87.37 119.6 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 58.64 90.7 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.97 48.07 2.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.513 2.142 . . . . 0.0 112.231 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.36 -49.16 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.12 -41.86 79.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.789 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.411 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -46.21 83.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.24 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 107.43 -116.01 4.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.83 -7.22 36.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.259 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -99.9 -162.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.535 0.207 . . . . 0.0 110.672 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 47.4 t80 64.03 104.62 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 7.0 t -83.7 130.51 55.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 3.5 Cg_exo -74.88 152.42 41.39 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.628 2.219 . . . . 0.0 112.393 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.99 -51.53 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . 0.422 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.433 ' O ' HG22 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.433 HG22 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 25.1 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.87 121.88 81.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.11 24.15 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.917 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.38 11.69 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.064 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.7 ttp -102.91 110.28 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.621 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -173.58 -39.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 HD21 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.632 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.35 -48.99 77.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.895 -179.818 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.6 mt -109.43 140.94 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.12 -7.07 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.745 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -99.92 -171.8 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 13.9 m120 60.69 13.47 4.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 64.49 146.22 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.35 1.07 9.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.692 2.262 . . . . 0.0 112.217 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.38 -45.78 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.24 -34.52 72.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.632 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . 0.575 ' HH ' ' HG2' ' B' ' 355' ' ' GLU . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.82 -31.92 72.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.51 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 62.05 63.21 4.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 150.26 -150.51 22.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -63.45 125.61 24.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -160.74 -28.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' THR . . . . . 0.437 ' HA ' ' HD2' ' B' ' 351' ' ' PRO . 2.9 t 34.99 90.17 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.239 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' B' ' 350' ' ' THR . 18.1 Cg_endo -59.19 138.13 83.12 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.725 2.283 . . . . 0.0 112.086 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -85.56 6.42 27.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.4 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . 0.575 ' HG2' ' HH ' ' B' ' 335' ' ' TYR . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG22 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.449 HG22 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.418 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.09 154.26 51.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.95 -166.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.631 2.221 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -92.0 95.05 9.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.114 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 5.2 mmp_? . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.672 0.272 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 7' ' ' MET . 54.4 ttp -143.18 -3.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 8.9 m120 -89.21 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.687 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.456 HE21 ' HG3' ' A' ' 14' ' ' GLU . 24.5 tp60 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.458 ' HE3' ' HB3' ' B' ' 303' ' ' GLU . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' HE21 ' A' ' 10' ' ' GLN . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD11 HG21 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.94 -24.77 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 96.5 mt 60.83 100.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -107.52 104.76 14.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -140.5 163.17 33.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -83.18 -71.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.382 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -80.4 138.99 51.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.1 8.24 4.73 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.3 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.458 ' HB3' ' HE3' ' A' ' 11' ' ' MET . 46.5 mt-10 -59.01 -48.59 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.553 HG21 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.488 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.544 ' HG3' HD21 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . 0.417 ' C ' HD21 ' B' ' 341' ' ' ASN . 0.2 OUTLIER -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -76.92 -35.16 57.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.91 82.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 69.08 97.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 132.33 -107.89 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.44 128.95 48.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -138.14 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.5 t -114.15 84.22 8.89 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.33 165.84 14.37 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -99.12 -23.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.544 HD21 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' THR . . . . . 0.458 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . 0.458 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG21 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.5 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.82 155.81 21.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.19 -163.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.673 2.248 . . . . 0.0 112.271 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.4 -3.49 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' H2 ' ' HB3' ' A' ' 10' ' ' GLN . 99.3 mtt180 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.47 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 23.3 ptm -130.76 25.56 5.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.614 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 -129.73 -61.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HB3' ' H2 ' ' A' ' 6' ' ' ARG . 7.4 tp-100 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD11 HG22 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.97 -60.97 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.044 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 83.9 mt 62.0 110.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.21 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -95.1 140.63 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.84 114.79 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -158.68 -68.33 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.18 64.34 3.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.58 108.22 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.588 2.192 . . . . 0.0 112.424 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.63 -37.35 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.67 -34.86 78.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.612 HG22 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . 0.454 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . 0.453 ' HB2' ' HZ3' ' B' ' 313' ' ' LYS . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . 0.441 HG12 HD22 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.401 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD11 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.432 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -92.37 -22.4 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.48 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 130.36 -63.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -167.66 -74.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -69.0 113.09 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -162.91 143.8 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.686 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -118.27 92.15 42.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.484 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.47 164.55 25.65 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.95 0.93 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.432 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' THR . . . . . 0.568 ' HG1' ' HG2' ' B' ' 357' ' ' GLU . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . 0.568 ' HG2' ' HG1' ' B' ' 354' ' ' THR . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.45 ' O ' HG22 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.45 HG22 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . 0.441 HD22 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.614 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.9 134.07 87.01 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.38 166.82 25.8 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.334 2.023 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.24 -28.69 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.219 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.533 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 10.1 ttp -124.95 -162.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.533 ' H ' ' HG2' ' A' ' 7' ' ' MET . 10.4 m120 64.26 -83.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.03 -56.23 24.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 7.9 tpm_? . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.63 112.03 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.84 146.32 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -80.41 115.96 20.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -110.79 179.09 4.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.75 150.36 94.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.58 3.09 5.11 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.541 2.161 . . . . 0.0 112.304 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 41.4 t -74.12 -45.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.33 -38.79 77.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.567 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.416 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.452 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.515 ' HG2' HD22 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.85 -32.24 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.18 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.08 77.03 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.399 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.91 124.02 20.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.762 0.315 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -155.23 -35.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.6 t 36.19 85.76 0.15 Allowed Pre-proline 0 N--CA 1.466 0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.065 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.8 -167.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.82 2.347 . . . . 0.0 112.337 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.62 -0.33 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.249 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.515 HD22 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.421 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.421 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.438 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.04 138.88 72.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.43 141.28 12.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.484 2.122 . . . . 0.0 112.537 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 20.7 t70 59.82 14.53 4.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.33 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.165 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.503 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 25.1 ptt? -98.81 10.17 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.624 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.8 OUTLIER -89.3 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.161 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.503 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD13 HG21 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.89 -61.06 2.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.67 0.271 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.62 121.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.042 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . 0.413 ' HG2' ' HB2' ' B' ' 300' ' ' GLN . 6.6 tp-100 -57.67 151.72 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.77 -62.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.303 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -156.05 4.94 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.582 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' B' ' 297' ' ' GLN . 48.6 mt-30 -83.63 118.35 71.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.773 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 15.8 1.69 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.505 2.137 . . . . 0.0 112.583 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.53 -61.65 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.08 -33.44 69.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.444 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.444 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . 0.559 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . 0.559 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -80.91 -24.23 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.86 92.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 63.61 89.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.612 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 126.61 -156.2 19.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.45 120.38 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -167.03 141.95 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.5 t -126.45 137.46 30.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -88.14 148.0 6.67 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.37 -2.87 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.423 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.424 ' O ' HG22 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.424 HG22 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.524 ' HA ' HD12 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.624 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.61 145.6 67.56 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.73 160.39 16.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.538 2.159 . . . . 0.0 112.457 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.8 t70 59.22 18.38 6.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.022 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.696 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 19.2 ttp -70.94 -170.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.696 ' H ' ' HG2' ' A' ' 7' ' ' MET . 10.7 m120 69.1 -76.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.446 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.593 HD12 HG21 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.19 -41.95 85.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.869 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 48.4 tp -105.5 -24.69 12.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -60.26 159.97 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -114.04 -65.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -132.74 -24.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.92 92.06 49.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.06 18.52 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.549 2.166 . . . . 0.0 112.608 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -32.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -38.31 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.767 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . 0.428 ' HE2' ' HG3' ' B' ' 375' ' ' GLU . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.593 HG21 HD12 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' THR . . . . . 0.413 HG21 HD22 ' B' ' 353' ' ' LEU . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.71 -27.7 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.02 75.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.9 -28.09 7.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.567 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 178.14 154.35 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.58 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 59.86 101.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.961 0.41 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.54 149.51 26.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -113.96 83.42 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.62 123.25 6.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.539 2.159 . . . . 0.0 112.651 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -93.44 -3.2 53.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 334' ' ' THR . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.669 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.669 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . 0.428 ' HG3' ' HE2' ' B' ' 306' ' ' HIS . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.78 126.19 79.62 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.46 -171.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.473 2.115 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.62 -29.6 68.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.217 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttp -122.75 101.6 7.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.593 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER -165.71 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.85 -33.45 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 10.3 tt -86.06 121.67 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -79.56 128.78 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.34 -65.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -143.95 -76.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -120.15 148.66 47.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.47 9.51 3.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.558 2.172 . . . . 0.0 112.223 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.36 -41.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.454 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.68 -33.02 67.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.432 ' HA ' HD13 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . 0.507 ' HH ' ' HG2' ' B' ' 355' ' ' GLU . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.58 -41.38 98.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.63 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.14 17.44 52.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.646 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -136.22 -154.76 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.5 106.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -149.95 147.37 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -139.43 106.67 7.15 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.311 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.84 -177.19 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.488 2.125 . . . . 0.0 112.189 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -123.13 -6.36 8.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.344 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . 0.507 ' HG2' ' HH ' ' B' ' 335' ' ' TYR . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.43 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 4.1 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.495 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.81 151.67 94.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.93 -168.59 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.45 2.1 . . . . 0.0 112.151 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.13 90.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.135 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ptm -91.32 98.93 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER -170.9 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.428 HD11 ' ND2' ' A' ' 8' ' ' ASN . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.525 ' HB2' HE21 ' B' ' 336' ' ' GLN . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.45 -29.5 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.974 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 82.0 mt -74.63 -3.96 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 65.29 154.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 12.0 m120 60.99 99.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.74 143.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' B' ' 301' ' ' PRO . 21.1 mt-30 -77.16 129.1 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 300' ' ' GLN . 11.0 Cg_exo -71.16 131.64 19.65 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.606 2.204 . . . . 0.0 112.545 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 38.3 t -75.12 -35.97 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.56 -25.1 62.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.414 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.414 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.525 HE21 ' HB2' ' A' ' 10' ' ' GLN . 6.4 tp-100 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.02 -50.18 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.75 -16.68 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 100.82 -105.24 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.644 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -137.73 12.66 3.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -99.9 1.96 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -84.99 150.94 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.6 t -114.14 83.31 7.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.34 112.04 3.14 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -72.73 -25.68 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.421 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.546 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.79 133.63 51.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.86 118.86 5.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.429 2.086 . . . . 0.0 112.195 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 57.74 20.2 6.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.013 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.208 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.849 0.356 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.2 ttp 53.89 82.95 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' ND2' ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -172.96 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.154 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.517 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.06 -55.44 32.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.721 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.93 130.56 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 58.96 99.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.79 -12.85 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.726 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -74.02 -35.5 64.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -115.95 81.77 10.23 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.96 14.2 2.41 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.628 2.219 . . . . 0.0 112.24 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.52 -32.64 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.7 -31.24 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . 0.525 HD21 ' N ' ' B' ' 305' ' ' ASN . 0.9 OUTLIER -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . 0.525 HD21 ' N ' ' B' ' 309' ' ' ASN . 0.9 OUTLIER -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.442 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . 0.546 ' HA ' HE21 ' B' ' 339' ' ' GLN . 0.0 OUTLIER -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.94 -18.19 59.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -78.86 -39.57 34.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 146.7 -60.9 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.642 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -176.07 154.91 18.18 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' B' ' 350' ' ' THR . 16.1 m120 58.98 -89.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.559 0.218 . . . . 0.0 111.054 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.9 t80 65.31 -5.82 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' THR . . . . . 0.485 ' H ' ' C ' ' B' ' 348' ' ' ASN . 2.7 t 36.08 79.01 0.32 Allowed Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . 0.442 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 51.4 Cg_exo -54.95 175.08 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.66 2.24 . . . . 0.0 112.517 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -90.84 -39.8 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.225 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.449 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.422 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . 0.441 HD21 HD13 ' A' ' 9' ' ' ILE . 78.0 mt -86.06 150.96 53.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.54 -159.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.603 2.202 . . . . 0.0 112.22 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.33 -22.41 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.046 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -157.45 -25.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 -78.01 -77.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.731 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG22 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -52.64 -36.28 56.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.903 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.1 mt -79.63 175.09 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.12 109.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.93 106.71 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -138.11 -73.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.21 150.02 65.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.64 16.6 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.575 2.183 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.16 -39.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.42 -50.09 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . 0.561 HD21 ' N ' ' B' ' 341' ' ' ASN . 0.8 OUTLIER -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . 0.656 ' HB2' ' HZ3' ' B' ' 343' ' ' LYS . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.32 -27.55 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.69 74.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.004 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 70.34 104.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.588 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.87 18.17 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.558 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -86.37 137.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -162.59 128.74 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.8 t -106.5 104.58 51.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.31 -172.26 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.749 2.3 . . . . 0.0 111.976 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -121.34 -25.45 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.421 HD12 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.554 HG11 HG22 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.554 HG22 HG11 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.405 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.04 142.61 79.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.54 -170.01 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.442 2.094 . . . . 0.0 112.056 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.14 -28.08 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.2 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.943 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.6 ttp -80.39 1.37 29.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.755 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.571 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 -99.75 -74.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.595 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -35.55 77.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.863 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 mt -104.88 162.77 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.56 115.56 27.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.64 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.693 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -120.42 145.64 41.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.59 4.61 6.88 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.558 2.172 . . . . 0.0 112.499 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.16 -35.13 73.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.96 -44.67 78.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.401 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 327' ' ' ALA . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.412 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -66.42 -41.39 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -95.58 33.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -55.07 98.49 0.05 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 172.39 92.25 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.555 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 60.38 15.14 5.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.328 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -106.1 145.75 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.6 t -131.03 139.28 35.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.97 154.89 72.14 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.366 2.044 . . . . 0.0 112.071 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . 0.412 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . -65.9 -54.13 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' THR . . . . . 0.402 ' O ' HG21 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.402 HG21 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.497 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.497 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.571 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.11 148.32 63.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.37 -165.15 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.514 2.143 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -88.95 94.45 9.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.825 0.345 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -153.8 15.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.632 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 -84.0 -78.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.793 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . 0.435 HD12 ' N ' ' B' ' 296' ' ' LEU . 5.6 mp -83.09 167.46 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.16 168.03 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -112.46 88.23 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -139.34 5.25 2.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.571 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' B' ' 300' ' ' GLN . 1.1 mp0 57.09 70.49 1.36 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.21 177.35 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.686 2.258 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 59.6 t -69.31 -53.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.05 -33.29 57.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . 0.412 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.412 HG12 ' O ' ' B' ' 304' ' ' PHE . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.562 ' HZ3' ' HB3' ' B' ' 326' ' ' LYS . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.6 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.38 -24.4 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.29 -25.9 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 67.38 90.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 116.63 -139.07 14.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -148.8 -20.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.7 t 36.37 82.01 0.23 Allowed Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . 0.6 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 52.9 Cg_exo -53.5 133.12 52.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.563 2.175 . . . . 0.0 112.433 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.86 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.465 ' O ' HG22 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.465 HG22 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . 0.616 ' HZ2' ' HB2' ' B' ' 367' ' ' LYS . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.68 118.67 36.85 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.46 19.96 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.522 2.148 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 24.4 t70 61.88 7.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.225 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.455 HH21 ' HG2' ' B' ' 381' ' ' PRO . 79.5 mtp180 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 ttp 57.36 50.03 12.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.515 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER -173.23 150.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.615 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' HA ' HD11 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 HD13 HE21 ' B' ' 336' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD12 HG21 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -51.23 -57.9 7.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 62.8 tp -143.05 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -73.62 133.42 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -113.4 -69.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -149.98 -58.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . 0.407 ' HB2' HG23 ' B' ' 302' ' ' VAL . 4.0 pt20 -110.55 140.63 22.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.771 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.43 15.59 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.768 2.312 . . . . 0.0 112.398 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' B' ' 300' ' ' GLN . 24.9 t -63.56 -27.81 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.08 -45.91 79.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.575 HG21 HD12 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.444 HE21 HD13 ' A' ' 13' ' ' LEU . 8.5 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -81.76 -18.89 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -117.99 27.38 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -59.21 100.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.63 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -175.66 -81.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -121.65 -6.5 9.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.58 140.56 53.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 3.6 t -116.02 128.93 25.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.86 146.12 91.27 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.278 1.985 . . . . 0.0 112.246 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -92.39 -1.73 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.456 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.34 147.3 76.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.455 ' HG2' HH21 ' A' ' 6' ' ' ARG . 32.4 Cg_exo -62.07 -170.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.545 2.163 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.79 91.08 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.108 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.618 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.5 ptm -125.5 -158.02 0.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.312 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 64.2 -84.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.225 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.74 -32.94 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.906 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 45.0 tp -130.51 97.51 4.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 59.06 -176.15 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -117.29 150.43 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.69 179.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 111.3 8.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.0 150.75 82.78 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.459 2.106 . . . . 0.0 112.486 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.23 -45.81 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -27.97 63.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.413 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.413 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.47 ' HB2' HD22 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -79.95 -27.81 39.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.89 -15.91 61.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.72 71.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.708 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 129.38 -176.03 18.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.38 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.7 16.23 6.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -100.42 149.34 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.4 t -120.55 91.0 46.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.289 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.41 164.59 10.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.533 2.155 . . . . 0.0 112.165 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -96.39 -25.31 15.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.431 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.432 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.499 ' HA ' HD13 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.599 ' HB3' HD11 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.499 HD13 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . 0.41 HD22 HD22 ' A' ' 8' ' ' ASN . 97.1 mt -65.68 152.31 93.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.76 -166.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.479 2.119 . . . . 0.0 112.115 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.55 -1.18 29.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.131 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.509 HH22 ' HG3' ' B' ' 336' ' ' GLN . 39.4 ttp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.44 ' HB2' ' H ' ' A' ' 8' ' ' ASN . 3.2 ppp? -128.58 -157.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.774 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.602 HD21 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 66.56 -83.24 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.408 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD13 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.19 -61.96 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.5 14.27 8.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -74.67 -11.97 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -102.4 100.63 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -126.5 95.49 38.08 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.16 11.85 2.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.567 2.178 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.84 -70.15 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.588 HG23 HD13 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . 0.457 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . 0.509 ' HG3' HH22 ' A' ' 6' ' ' ARG . 8.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.537 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . 0.506 HE22 HH11 ' A' ' 6' ' ' ARG . 22.3 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.98 -39.39 75.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -90.89 23.11 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.51 99.85 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.61 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -179.28 -74.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -123.69 -0.73 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -85.56 140.47 30.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -111.9 129.56 24.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.11 169.05 15.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.381 2.054 . . . . 0.0 112.187 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.32 -40.91 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.537 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.429 ' O ' HG22 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.429 HG22 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . 0.591 ' HZ1' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.602 ' HB3' HD21 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . 0.453 HD22 HD22 ' A' ' 8' ' ' ASN . 93.7 mt -58.42 146.01 73.68 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -61.08 -173.99 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.457 2.104 . . . . 0.0 112.279 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -61.29 -27.33 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.22 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.9 ptm -130.25 16.11 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 7.7 m120 -112.1 -62.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.051 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD13 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.93 -44.69 94.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 40.5 tp -148.36 -19.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.8 3.36 38.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.77 167.95 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -79.6 153.66 29.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.743 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 55.48 82.81 0.24 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.8 93.78 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.39 2.06 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.64 -35.52 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.64 -36.19 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.531 HG23 HD13 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.402 ' CZ ' HD13 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.406 ' HB2' HD22 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . 0.491 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . 0.612 ' HZ2' ' HB2' ' B' ' 343' ' ' LYS . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.4 -40.77 15.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.54 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 122.26 -111.23 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.63 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -108.66 -45.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.612 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -93.57 136.78 33.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -163.63 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.5 t 35.68 78.59 0.33 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.879 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.86 -167.07 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -119.33 -66.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.557 HG11 HG23 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.557 HG23 HG11 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.493 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.05 144.05 22.12 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.84 150.11 49.02 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.449 2.1 . . . . 0.0 112.813 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.09 -80.97 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.31 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.266 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.733 0.301 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 ptm -76.16 95.69 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.472 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.7 t-20 -170.54 -89.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD13 HG21 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.07 -46.23 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.925 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.26 -60.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -113.92 -174.9 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.96 1.46 57.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -95.99 -177.89 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.44 142.31 87.06 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.661 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.72 46.12 2.09 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.545 2.163 . . . . 0.0 112.472 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.51 -47.48 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.738 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . 0.646 ' HZ1' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.403 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.403 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.41 ' HB2' HD23 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.61 -25.93 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.99 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 136.78 -117.51 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -90.77 -101.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -65.2 147.48 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -157.07 -31.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.8 t 34.85 78.93 0.31 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.954 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.55 165.9 28.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.78 -60.45 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . 0.462 ' HG2' HE21 ' B' ' 361' ' ' GLN . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . 0.493 ' O ' HG21 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . 0.462 HE21 ' HG2' ' B' ' 357' ' ' GLU . 79.2 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.5 ' HA ' HD12 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . 0.637 ' HB3' ' HZ2' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.472 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt -81.01 155.73 72.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.8 112.95 2.14 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.522 2.148 . . . . 0.0 112.731 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.21 17.75 4.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.359 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.231 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.79 0.329 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 26.1 ptt? -136.88 14.01 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.717 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.579 HD21 HG12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -113.61 -62.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.502 -179.605 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.579 HG12 HD21 ' A' ' 8' ' ' ASN . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.455 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.55 -38.59 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.775 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.79 104.62 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.05 147.12 23.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.87 145.31 27.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -143.14 145.7 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 59.98 100.7 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.036 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.57 -2.79 3.63 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.51 2.14 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.2 -56.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 303' ' ' GLU . . . . . 0.415 ' HG3' ' HE3' ' A' ' 11' ' ' MET . 8.1 tp10 -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' ALA . . . . . 0.412 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' GLU . . . . . 0.554 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' ASN . . . . . 0.536 HD21 ' N ' ' B' ' 341' ' ' ASN . 0.9 OUTLIER -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.77 -31.44 72.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -94.67 47.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.05 100.18 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.551 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 166.39 -112.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -109.45 97.43 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -163.53 128.07 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -102.08 125.01 38.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.48 174.48 8.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.561 2.174 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.84 -49.1 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . 0.554 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' ALA . . . . . 0.419 ' HA ' HD23 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 373' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' PHE . . . . . 0.503 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.08 143.17 88.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.64 163.5 37.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.491 2.128 . . . . 0.0 112.415 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.83 17.54 4.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.111 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.712 0.291 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD11 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 310' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 314' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.702 0.287 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.49 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.532 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 365' ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.544 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.62 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.937 0.399 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.641 HD11 HG23 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.641 HG23 HD11 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.438 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 357' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 76.8 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.616 0.246 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.49 HG22 HD23 ' A' ' 13' ' ' LEU . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.69 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.69 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 327' ' ' ALA . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.677 0.275 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 375' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 378' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 43.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.67 0.271 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.623 HD11 HG23 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.723 0.297 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.421 HG22 ' HG ' ' B' ' 353' ' ' LEU . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.576 ' HG3' HD23 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.377 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 354' ' ' THR . . . . . 0.535 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 357' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.647 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.688 0.28 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 HG23 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.665 0.269 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 311' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 314' ' ' ILE . . . . . 0.512 HG12 HD23 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.408 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.467 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 372' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.647 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 54.9 m-20 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.681 0.277 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.432 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.467 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.664 0.269 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD11 HG23 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 310' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 314' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 317' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.448 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.474 ' H ' HD12 ' B' ' 332' ' ' LEU . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 340' ' ' ARG . . . . . 0.585 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.457 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 364' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 364' ' ' ARG . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.642 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.666 HD11 HG23 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 354' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 358' ' ' VAL . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 357' ' ' GLU . . . . . 0.445 ' HB3' ' H ' ' B' ' 354' ' ' THR . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 354' ' ' THR . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.703 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.703 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.598 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.642 0.258 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.522 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 375' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 378' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 13.3 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.687 0.28 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 332' ' ' LEU . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.563 HG23 HD11 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.433 ' HB2' HD21 ' A' ' 13' ' ' LEU . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' THR . . . . . 0.464 HG22 ' HG ' ' B' ' 353' ' ' LEU . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' B' ' 334' ' ' THR . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' ILE . 1.5 p30 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.57 0.224 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.299 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.717 0.294 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 374' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 378' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 374' ' ' SER . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 9' ' ' ILE . 78.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 307' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 311' ' ' VAL . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.59 HG23 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 311' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 307' ' ' ALA . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.482 HD11 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 354' ' ' THR . . . . . 0.408 ' N ' HD13 ' B' ' 353' ' ' LEU . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.576 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.421 ' N ' HG12 ' B' ' 358' ' ' VAL . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.576 HG21 HG13 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 375' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 378' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 19.8 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.857 0.36 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.91 0.386 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ALA . . . . . 0.476 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' THR . . . . . 0.559 ' O ' HG23 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 370' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' B' ' 370' ' ' GLU . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.638 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' B' ' 335' ' ' TYR . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 332' ' ' LEU . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 308' ' ' ILE . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 304' ' ' PHE . . . . . 0.433 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.482 HD13 ' HB1' ' A' ' 15' ' ' ALA . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 9' ' ' ILE . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.638 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.525 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 120.633 0.254 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 307' ' ' ALA . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 10' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 HG23 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 307' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 11' ' ' MET . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' LEU . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.469 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.465 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.464 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.73 0.3 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.615 ' HB3' HD13 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 372' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 8' ' ' ASN . 97.1 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.58 0.229 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 332' ' ' LEU . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.633 HG23 HD11 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 314' ' ' ILE . . . . . 0.474 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.595 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 357' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' B' ' 353' ' ' LEU . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.42 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 367' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 372' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 375' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 378' ' ' GLN . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 378' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 375' ' ' GLU . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 380' ' ' LEU . . . . . 0.427 HD23 ' OD1' ' A' ' 8' ' ' ASN . 93.7 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 34.9 m-20 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' B' ' 303' ' ' GLU . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD11 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 303' ' ' GLU . . . . . 0.404 ' HB3' ' SD ' ' A' ' 11' ' ' MET . 2.3 mp0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 329' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.477 ' HB2' HD21 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLN . . . . . 0.537 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 343' ' ' LYS . . . . . 0.537 ' HD2' HE22 ' B' ' 339' ' ' GLN . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.322 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 353' ' ' LEU . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.632 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.418 ' N ' HG12 ' B' ' 358' ' ' VAL . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.632 HG21 HG13 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 366' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 369' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 25.1 t30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD11 HG23 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 308' ' ' ILE . . . . . 0.511 HG23 HD11 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 326' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.453 ' HB2' HD21 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 367' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.299 . . . . 0.0 111.502 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' O ' HD23 ' A' ' 13' ' ' LEU . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.763 0.316 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.416 ' O ' HD12 ' B' ' 332' ' ' LEU . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 332' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 338' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 353' ' ' LEU . . . . . 0.575 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 358' ' ' VAL . . . . . 0.478 ' O ' HG23 ' B' ' 362' ' ' VAL . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 362' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 358' ' ' VAL . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 363' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 373' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 379' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.53 98.74 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 -169.96 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD11 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.06 -59.5 4.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.775 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 296' ' ' LEU . . . . . 0.467 ' N ' HD12 ' B' ' 296' ' ' LEU . 5.8 mp 55.28 -169.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -143.39 -23.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.742 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -74.24 168.84 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -141.96 11.95 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -98.05 113.64 64.11 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.12 0.98 6.47 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.651 2.234 . . . . 0.0 112.717 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.45 -41.57 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.65 -41.29 94.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 310' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.27 -18.17 21.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -77.46 -3.6 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 91.4 -63.83 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -169.9 -49.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.63 95.5 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -173.78 143.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -121.54 104.74 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.65 150.96 87.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.409 2.073 . . . . 0.0 112.317 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.78 -8.09 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.49 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.532 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.544 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt -68.58 131.28 91.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -173.72 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.42 2.08 . . . . 0.0 112.265 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.4 90.09 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.074 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . 12.8 mmm180 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.2 ttp -96.22 40.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.62 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 -139.01 -73.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.34 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HG3' ' HB2' ' A' ' 6' ' ' ARG . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.641 HD11 HG23 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 84.0 mt -107.01 -171.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 297' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' B' ' 297' ' ' GLN . 5.6 pm0 -103.57 163.41 12.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -127.95 -39.99 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -87.37 119.6 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 58.64 90.7 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.97 48.07 2.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.513 2.142 . . . . 0.0 112.231 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.36 -49.16 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.12 -41.86 79.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.789 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.641 HG23 HD11 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -46.21 83.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.24 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 107.43 -116.01 4.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.83 -7.22 36.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.259 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -99.9 -162.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.535 0.207 . . . . 0.0 110.672 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 47.4 t80 64.03 104.62 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 7.0 t -83.7 130.51 55.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 3.5 Cg_exo -74.88 152.42 41.39 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.628 2.219 . . . . 0.0 112.393 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.99 -51.53 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.438 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 76.8 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.87 121.88 81.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.11 24.15 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.917 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.38 11.69 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.064 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.7 ttp -102.91 110.28 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -173.58 -39.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.49 HG22 HD23 ' A' ' 13' ' ' LEU . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.35 -48.99 77.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.895 -179.818 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.6 mt -109.43 140.94 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.12 -7.07 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.745 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -99.92 -171.8 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 60.69 13.47 4.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 64.49 146.22 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.35 1.07 9.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.692 2.262 . . . . 0.0 112.217 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.38 -45.78 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.24 -34.52 72.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.69 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 327' ' ' ALA . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.82 -31.92 72.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.51 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 62.05 63.21 4.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 150.26 -150.51 22.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -63.45 125.61 24.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -160.74 -28.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' B' ' 351' ' ' PRO . 2.9 t 34.99 90.17 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.239 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 350' ' ' THR . 18.1 Cg_endo -59.19 138.13 83.12 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.725 2.283 . . . . 0.0 112.086 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -85.56 6.42 27.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.4 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 375' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 378' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.09 154.26 51.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.95 -166.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.631 2.221 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -92.0 95.05 9.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.114 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 5.2 mmp_? . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.672 0.272 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 7' ' ' MET . 54.4 ttp -143.18 -3.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 43.8 m-20 -89.21 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.687 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.623 HD11 HG23 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.94 -24.77 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 96.5 mt 60.83 100.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -107.52 104.76 14.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -140.5 163.17 33.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -83.18 -71.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.382 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -80.4 138.99 51.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.1 8.24 4.73 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.3 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.01 -48.59 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.421 HG22 ' HG ' ' B' ' 353' ' ' LEU . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.576 ' HG3' HD23 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -76.92 -35.16 57.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.91 82.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 69.08 97.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 132.33 -107.89 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.44 128.95 48.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -138.14 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.5 t -114.15 84.22 8.89 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.33 165.84 14.37 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -99.12 -23.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 354' ' ' THR . . . . . 0.535 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 357' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.82 155.81 21.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.19 -163.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.673 2.248 . . . . 0.0 112.271 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.4 -3.49 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 99.3 mtt180 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.3 ptm -130.76 25.56 5.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.647 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 -129.73 -61.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 HG23 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.97 -60.97 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.044 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 83.9 mt 62.0 110.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.21 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -95.1 140.63 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -94.84 114.79 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -158.68 -68.33 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -157.18 64.34 3.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.58 108.22 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.588 2.192 . . . . 0.0 112.424 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.63 -37.35 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.67 -34.86 78.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 311' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ILE . . . . . 0.512 HG12 HD23 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.408 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -92.37 -22.4 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.48 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 130.36 -63.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -167.66 -74.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -69.0 113.09 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -162.91 143.8 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.686 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -118.27 92.15 42.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.484 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.47 164.55 25.65 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.95 0.93 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.467 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 372' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.647 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.9 134.07 87.01 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.38 166.82 25.8 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.334 2.023 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.24 -28.69 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.219 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 10.1 ttp -124.95 -162.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' H ' ' HG2' ' A' ' 7' ' ' MET . 54.9 m-20 64.26 -83.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.03 -56.23 24.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 7.9 tpm_? . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.63 112.03 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.84 146.32 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -80.41 115.96 20.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -110.79 179.09 4.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.75 150.36 94.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.58 3.09 5.11 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.541 2.161 . . . . 0.0 112.304 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 41.4 t -74.12 -45.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.33 -38.79 77.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.432 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.85 -32.24 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.18 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.08 77.03 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.399 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.91 124.02 20.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.762 0.315 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -155.23 -35.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.6 t 36.19 85.76 0.15 Allowed Pre-proline 0 N--CA 1.466 0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.065 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.8 -167.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.82 2.347 . . . . 0.0 112.337 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.62 -0.33 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.249 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.467 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.04 138.88 72.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.43 141.28 12.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.484 2.122 . . . . 0.0 112.537 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 20.7 t70 59.82 14.53 4.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.33 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.165 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.527 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 25.1 ptt? -98.81 10.17 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.8 m-20 -89.3 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.161 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD11 HG23 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.89 -61.06 2.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.67 0.271 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.62 121.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.042 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 297' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' B' ' 300' ' ' GLN . 6.6 tp-100 -57.67 151.72 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.77 -62.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.303 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -156.05 4.94 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.582 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 300' ' ' GLN . . . . . 0.436 ' HB2' ' HG2' ' B' ' 297' ' ' GLN . 48.6 mt-30 -83.63 118.35 71.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.773 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 15.8 1.69 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.505 2.137 . . . . 0.0 112.583 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.53 -61.65 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.08 -33.44 69.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 310' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 317' ' ' ARG . . . . . 0.514 ' HA ' ' HE ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.448 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.474 ' H ' HD12 ' B' ' 332' ' ' LEU . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 340' ' ' ARG . . . . . 0.585 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -80.91 -24.23 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.86 92.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 63.61 89.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.612 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 126.61 -156.2 19.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -68.45 120.38 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -167.03 141.95 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.5 t -126.45 137.46 30.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -88.14 148.0 6.67 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.37 -2.87 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.457 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 364' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 364' ' ' ARG . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.642 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.61 145.6 67.56 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.73 160.39 16.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.538 2.159 . . . . 0.0 112.457 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.8 t70 59.22 18.38 6.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.022 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.699 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 19.2 ttp -70.94 -170.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.699 ' H ' ' HG2' ' A' ' 7' ' ' MET . 57.7 m-20 69.1 -76.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.446 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.666 HD11 HG23 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.19 -41.95 85.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.869 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 48.4 tp -105.5 -24.69 12.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -60.26 159.97 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -114.04 -65.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -132.74 -24.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.92 92.06 49.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.06 18.52 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.549 2.166 . . . . 0.0 112.608 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -32.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -38.31 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.767 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.71 -27.7 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.02 75.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.9 -28.09 7.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.567 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 178.14 154.35 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.58 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 59.86 101.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.961 0.41 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.54 149.51 26.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -113.96 83.42 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.62 123.25 6.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.539 2.159 . . . . 0.0 112.651 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -93.44 -3.2 53.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 354' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 358' ' ' VAL . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 357' ' ' GLU . . . . . 0.445 ' HB3' ' H ' ' B' ' 354' ' ' THR . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 354' ' ' THR . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.703 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.703 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' B' ' 381' ' ' PRO . 79.9 mt -58.78 126.19 79.62 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 380' ' ' LEU . 32.5 Cg_exo -61.46 -171.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.473 2.115 . . . . 0.0 112.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.62 -29.6 68.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.217 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttp -122.75 101.6 7.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 26.9 p-10 -165.71 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.85 -33.45 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 10.3 tt -86.06 121.67 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -79.56 128.78 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.34 -65.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -143.95 -76.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -120.15 148.66 47.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.47 9.51 3.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.558 2.172 . . . . 0.0 112.223 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.36 -41.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.454 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.68 -33.02 67.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.58 -41.38 98.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.63 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.14 17.44 52.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.646 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -136.22 -154.76 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.5 106.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -149.95 147.37 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -139.43 106.67 7.15 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.311 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.84 -177.19 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.488 2.125 . . . . 0.0 112.189 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -123.13 -6.36 8.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.344 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.522 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 375' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 378' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 13.3 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.81 151.67 94.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.93 -168.59 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.45 2.1 . . . . 0.0 112.151 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.13 90.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.135 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ptm -91.32 98.93 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER -170.9 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 332' ' ' LEU . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.45 -29.5 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.974 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 82.0 mt -74.63 -3.96 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 65.29 154.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 60.99 99.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 51.8 t30 64.74 143.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 300' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' B' ' 301' ' ' PRO . 96.7 mt-30 -77.16 129.1 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 301' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 300' ' ' GLN . 11.0 Cg_exo -71.16 131.64 19.65 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.606 2.204 . . . . 0.0 112.545 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 38.3 t -75.12 -35.97 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.56 -25.1 62.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.563 HG23 HD11 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.433 ' HB2' HD21 ' A' ' 13' ' ' LEU . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' THR . . . . . 0.464 HG22 ' HG ' ' B' ' 353' ' ' LEU . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.02 -50.18 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.75 -16.68 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 100.82 -105.24 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.644 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -137.73 12.66 3.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -99.9 1.96 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -84.99 150.94 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.6 t -114.14 83.31 7.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.34 112.04 3.14 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -72.73 -25.68 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' B' ' 334' ' ' THR . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.79 133.63 51.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.86 118.86 5.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.429 2.086 . . . . 0.0 112.195 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 57.74 20.2 6.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.013 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.208 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.849 0.356 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.2 ttp 53.89 82.95 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.49 ' HB2' HD12 ' A' ' 9' ' ' ILE . 1.5 p30 -172.96 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.154 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.06 -55.44 32.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.721 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 296' ' ' LEU . . . . . 0.406 HD22 ' N ' ' B' ' 296' ' ' LEU . 3.9 mm? -93.93 130.56 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 58.96 99.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.79 -12.85 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.726 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -74.02 -35.5 64.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -115.95 81.77 10.23 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.96 14.2 2.41 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.628 2.219 . . . . 0.0 112.24 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.52 -32.64 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.7 -31.24 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' LYS . . . . . 0.428 ' HB3' ' NZ ' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.94 -18.19 59.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -78.86 -39.57 34.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 146.7 -60.9 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.642 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -176.07 154.91 18.18 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' B' ' 350' ' ' THR . 16.1 m120 58.98 -89.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.559 0.218 . . . . 0.0 111.054 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.9 t80 65.31 -5.82 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' THR . . . . . 0.461 ' H ' ' C ' ' B' ' 348' ' ' ASN . 2.7 t 36.08 79.01 0.32 Allowed Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.461 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 51.4 Cg_exo -54.95 175.08 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.66 2.24 . . . . 0.0 112.517 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -90.84 -39.8 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.225 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 374' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 378' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 374' ' ' SER . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 9' ' ' ILE . 78.0 mt -86.06 150.96 53.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.54 -159.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.603 2.202 . . . . 0.0 112.22 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.33 -22.41 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.046 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -157.45 -25.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 -78.01 -77.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.731 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -52.64 -36.28 56.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.903 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.1 mt -79.63 175.09 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.12 109.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.93 106.71 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -138.11 -73.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.21 150.02 65.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.64 16.6 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.575 2.183 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.16 -39.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.42 -50.09 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 307' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 311' ' ' VAL . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.59 HG23 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 311' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 307' ' ' ALA . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.32 -27.55 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.69 74.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.004 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 70.34 104.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.588 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.87 18.17 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.558 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -86.37 137.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -162.59 128.74 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.8 t -106.5 104.58 51.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.31 -172.26 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.749 2.3 . . . . 0.0 111.976 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -121.34 -25.45 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.482 HD11 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 354' ' ' THR . . . . . 0.408 ' N ' HD13 ' B' ' 353' ' ' LEU . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.576 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.421 ' N ' HG12 ' B' ' 358' ' ' VAL . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.576 HG21 HG13 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 375' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 378' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 19.8 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.04 142.61 79.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.54 -170.01 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.442 2.094 . . . . 0.0 112.056 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.14 -28.08 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.2 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.943 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.6 ttp -80.39 1.37 29.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.755 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 -99.75 -74.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.595 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -35.55 77.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.863 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 mt -104.88 162.77 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.56 115.56 27.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -135.64 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.693 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -120.42 145.64 41.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.59 4.61 6.88 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.558 2.172 . . . . 0.0 112.499 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.16 -35.13 73.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.96 -44.67 78.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -66.42 -41.39 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -95.58 33.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -55.07 98.49 0.05 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 172.39 92.25 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.555 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 60.38 15.14 5.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.328 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -106.1 145.75 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 5.6 t -131.03 139.28 35.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 18.3 Cg_exo -65.97 154.89 72.14 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.366 2.044 . . . . 0.0 112.071 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ALA . . . . . 0.476 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . -65.9 -54.13 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' THR . . . . . 0.559 ' O ' HG23 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 370' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' B' ' 370' ' ' GLU . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.11 148.32 63.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.37 -165.15 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.514 2.143 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -88.95 94.45 9.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.825 0.345 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -153.8 15.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.638 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 -84.0 -78.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' B' ' 335' ' ' TYR . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 332' ' ' LEU . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 308' ' ' ILE . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.793 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 296' ' ' LEU . . . . . 0.473 ' N ' HD12 ' B' ' 296' ' ' LEU . 5.6 mp -83.09 167.46 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -69.16 168.03 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -112.46 88.23 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -139.34 5.25 2.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.571 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 300' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' B' ' 300' ' ' GLN . 1.1 mp0 57.09 70.49 1.36 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.21 177.35 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.686 2.258 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 59.6 t -69.31 -53.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.05 -33.29 57.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 304' ' ' PHE . . . . . 0.433 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.482 HD13 ' HB1' ' A' ' 15' ' ' ALA . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 9' ' ' ILE . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.38 -24.4 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.29 -25.9 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 67.38 90.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 116.63 -139.07 14.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -148.8 -20.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.7 t 36.37 82.01 0.23 Allowed Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 52.9 Cg_exo -53.5 133.12 52.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.563 2.175 . . . . 0.0 112.433 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.86 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.638 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.68 118.67 36.85 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.46 19.96 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.522 2.148 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 24.4 t70 61.88 7.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.225 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.494 HH21 ' HG2' ' B' ' 381' ' ' PRO . 79.5 mtp180 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 ttp 57.36 50.03 12.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.702 HD21 HD23 ' B' ' 380' ' ' LEU . 24.6 p-10 -173.23 150.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 307' ' ' ALA . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 10' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 HG23 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -51.23 -57.9 7.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 62.8 tp -143.05 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -73.62 133.42 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -113.4 -69.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -149.98 -58.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -110.55 140.63 22.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.43 15.59 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.768 2.312 . . . . 0.0 112.398 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.56 -27.81 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.08 -45.91 79.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 307' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 11' ' ' MET . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' LEU . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -81.76 -18.89 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -117.99 27.38 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -59.21 100.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.63 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -175.66 -81.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -121.65 -6.5 9.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.58 140.56 53.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 3.6 t -116.02 128.93 25.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 24.2 Cg_exo -63.86 146.12 91.27 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.278 1.985 . . . . 0.0 112.246 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -92.39 -1.73 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.469 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.465 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 8' ' ' ASN . 82.3 mt -59.34 147.3 76.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 0.494 ' HG2' HH21 ' A' ' 6' ' ' ARG . 32.4 Cg_exo -62.07 -170.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.545 2.163 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.79 91.08 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.108 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.618 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.5 ptm -125.5 -158.02 0.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.312 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 64.2 -84.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.225 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.74 -32.94 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.906 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 45.0 tp -130.51 97.51 4.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 59.06 -176.15 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -117.29 150.43 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.69 179.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.11 111.3 8.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.0 150.75 82.78 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.459 2.106 . . . . 0.0 112.486 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.23 -45.81 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -27.97 63.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.464 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -79.95 -27.81 39.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.89 -15.91 61.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.72 71.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.708 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 129.38 -176.03 18.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.38 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 65.3 t30 60.7 16.23 6.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -100.42 149.34 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.4 t -120.55 91.0 46.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.289 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.41 164.59 10.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.533 2.155 . . . . 0.0 112.165 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -96.39 -25.31 15.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.615 ' HB3' HD13 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 372' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 8' ' ' ASN . 97.1 mt -65.68 152.31 93.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.76 -166.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.479 2.119 . . . . 0.0 112.115 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.55 -1.18 29.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.131 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.523 HH22 ' HG3' ' B' ' 336' ' ' GLN . 39.4 ttp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 3.2 ppp? -128.58 -157.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.774 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 66.56 -83.24 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.408 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 332' ' ' LEU . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.19 -61.96 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.5 14.27 8.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -74.67 -11.97 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -102.4 100.63 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -126.5 95.49 38.08 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.16 11.85 2.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.567 2.178 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.84 -70.15 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.633 HG23 HD11 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 314' ' ' ILE . . . . . 0.474 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLN . . . . . 0.523 ' HG3' HH22 ' A' ' 6' ' ' ARG . 50.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.595 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.98 -39.39 75.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -90.89 23.11 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.51 99.85 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.61 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -179.28 -74.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -123.69 -0.73 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -85.56 140.47 30.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -111.9 129.56 24.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.11 169.05 15.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.381 2.054 . . . . 0.0 112.187 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.32 -40.91 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 357' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' B' ' 353' ' ' LEU . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.42 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 372' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 375' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 378' ' ' GLN . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 378' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 375' ' ' GLU . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 380' ' ' LEU . . . . . 0.427 HD23 ' OD1' ' A' ' 8' ' ' ASN . 93.7 mt -58.42 146.01 73.68 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 380' ' ' LEU . 36.7 Cg_exo -61.08 -173.99 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.457 2.104 . . . . 0.0 112.279 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -61.29 -27.33 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.22 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.9 ptm -130.25 16.11 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 7.7 m120 -112.1 -62.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.051 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' B' ' 303' ' ' GLU . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD11 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.93 -44.69 94.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 40.5 tp -148.36 -19.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.8 3.36 38.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.77 167.95 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -79.6 153.66 29.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.743 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 55.48 82.81 0.24 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.8 93.78 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.39 2.06 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.64 -35.52 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 303' ' ' GLU . . . . . 0.404 ' HB3' ' SD ' ' A' ' 11' ' ' MET . 2.3 mp0 -56.64 -36.19 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.477 ' HB2' HD21 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLN . . . . . 0.537 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 343' ' ' LYS . . . . . 0.537 ' HD2' HE22 ' B' ' 339' ' ' GLN . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.4 -40.77 15.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.54 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 122.26 -111.23 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.63 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -108.66 -45.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.612 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -93.57 136.78 33.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -163.63 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.5 t 35.68 78.59 0.33 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.879 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.86 -167.07 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -119.33 -66.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 353' ' ' LEU . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.632 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.418 ' N ' HG12 ' B' ' 358' ' ' VAL . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.632 HG21 HG13 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 366' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 369' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.05 144.05 22.12 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.84 150.11 49.02 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.449 2.1 . . . . 0.0 112.813 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.09 -80.97 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.31 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.266 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.733 0.301 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 ptm -76.16 95.69 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 25.1 t30 -170.54 -89.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD11 HG23 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.07 -46.23 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.925 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.26 -60.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -113.92 -174.9 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.96 1.46 57.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -95.99 -177.89 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.44 142.31 87.06 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.661 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.72 46.12 2.09 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.545 2.163 . . . . 0.0 112.472 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.51 -47.48 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.738 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 308' ' ' ILE . . . . . 0.511 HG23 HD11 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 326' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.453 ' HB2' HD21 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.61 -25.93 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.99 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 136.78 -117.51 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -90.77 -101.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -65.2 147.48 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -157.07 -31.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.8 t 34.85 78.93 0.31 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.954 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.55 165.9 28.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.78 -60.45 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt -81.01 155.73 72.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.8 112.95 2.14 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.522 2.148 . . . . 0.0 112.731 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.21 17.75 4.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.359 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.231 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HD3' HE21 ' B' ' 339' ' ' GLN . 86.0 mtm180 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.79 0.329 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.47 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 26.1 ptt? -136.88 14.01 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.717 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.498 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.3 OUTLIER -113.61 -62.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.502 -179.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' O ' HD23 ' A' ' 13' ' ' LEU . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.55 -38.59 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 7.0 tpm_? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.775 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.79 104.62 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.05 147.12 23.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.87 145.31 27.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -143.14 145.7 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 59.98 100.7 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.036 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.57 -2.79 3.63 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.51 2.14 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.2 -56.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.416 ' O ' HD12 ' B' ' 332' ' ' LEU . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 332' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 338' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLN . . . . . 0.425 HE21 ' HD3' ' A' ' 6' ' ' ARG . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.77 -31.44 72.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -94.67 47.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.05 100.18 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.551 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 166.39 -112.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -109.45 97.43 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -163.53 128.07 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -102.08 125.01 38.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.48 174.48 8.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.561 2.174 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.84 -49.1 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' LEU . . . . . 0.575 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 358' ' ' VAL . . . . . 0.478 ' O ' HG23 ' B' ' 362' ' ' VAL . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 362' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 358' ' ' VAL . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 363' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 373' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 379' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.08 143.17 88.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.64 163.5 37.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.491 2.128 . . . . 0.0 112.415 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.83 17.54 4.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.111 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.712 0.291 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD11 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 323' ' ' ASP . 53.0 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . 0.428 ' HB3' HE21 ' B' ' 321' ' ' GLN . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.536 HE22 ' HB2' ' B' ' 340' ' ' ARG . 0.0 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . 0.536 ' HB2' HE22 ' B' ' 336' ' ' GLN . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.702 0.287 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.49 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.532 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.544 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.62 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.937 0.399 . . . . 0.0 111.34 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.641 HD11 HG23 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.836 0.351 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.641 HG23 HD11 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.819 0.342 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.438 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 25.1 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.095 0 CA-C-O 120.616 0.246 . . . . 0.0 111.228 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.49 HG22 HD23 ' A' ' 13' ' ' LEU . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.69 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.69 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 327' ' ' ALA . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.677 0.275 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 8.9 m120 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.67 0.271 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.503 HE21 ' HG3' ' A' ' 14' ' ' GLU . 24.5 tp60 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.503 ' HG3' HE21 ' A' ' 10' ' ' GLN . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.623 HD11 HG23 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.723 0.297 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.421 HG22 ' HG ' ' B' ' 353' ' ' LEU . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.576 ' HG3' HD23 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . 0.417 ' C ' HD22 ' B' ' 341' ' ' ASN . 0.2 OUTLIER -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.377 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . 0.535 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.647 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.688 0.28 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 HG23 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.665 0.269 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . 0.512 HG12 HD23 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.408 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.823 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.467 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.647 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 10.4 m120 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.681 0.277 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.432 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.467 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.664 0.269 . . . . 0.0 111.161 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD11 HG23 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.448 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.474 ' H ' HD12 ' B' ' 332' ' ' LEU . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . 0.585 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.901 0.381 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.457 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 364' ' ' ARG . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.642 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 120.742 0.306 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.666 HD11 HG23 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . 0.429 HD21 HD21 ' B' ' 309' ' ' ASN . 7.6 t30 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . 0.429 HD21 HD21 ' B' ' 305' ' ' ASN . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.868 0.366 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 358' ' ' VAL . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . 0.445 ' HB3' ' H ' ' B' ' 354' ' ' THR . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 354' ' ' THR . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.703 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.703 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.598 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.782 0.325 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.642 0.258 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.522 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 4.1 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.687 0.28 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB2' HE21 ' B' ' 336' ' ' GLN . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 332' ' ' LEU . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.976 0.417 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.563 HG23 HD11 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.433 ' HB2' HD21 ' A' ' 13' ' ' LEU . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . 0.464 HG22 ' HG ' ' B' ' 353' ' ' LEU . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.568 HE21 ' HB2' ' A' ' 10' ' ' GLN . 6.4 tp-100 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.853 0.359 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' B' ' 334' ' ' THR . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 120.57 0.224 . . . . 0.0 111.154 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.505 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.299 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . 0.536 HD22 ' N ' ' B' ' 305' ' ' ASN . 0.9 OUTLIER -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . 0.53 ' N ' HD22 ' B' ' 309' ' ' ASN . 0.9 OUTLIER -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . 0.569 ' HA ' HE21 ' B' ' 339' ' ' GLN . 0.0 OUTLIER -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.717 0.294 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 374' ' ' SER . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 9' ' ' ILE . 78.0 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.875 0.369 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 311' ' ' VAL . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.59 HG23 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 307' ' ' ALA . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . 0.572 HD22 ' N ' ' B' ' 341' ' ' ASN . 0.8 OUTLIER -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.482 HD11 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . 0.408 ' N ' HD13 ' B' ' 353' ' ' LEU . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.576 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.421 ' N ' HG12 ' B' ' 358' ' ' VAL . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.576 HG21 HG13 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 11.5 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.857 0.36 . . . . 0.0 111.595 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.91 0.386 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . 0.476 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.738 0.304 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . 0.559 ' O ' HG23 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' B' ' 370' ' ' GLU . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.638 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.934 0.397 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' B' ' 335' ' ' TYR . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 332' ' ' LEU . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 308' ' ' ILE . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . 0.433 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.482 HD13 ' HB1' ' A' ' 15' ' ' ALA . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 9' ' ' ILE . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.865 0.364 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.638 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt . . . . . 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.525 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.46 0.075 0 CA-C-O 120.633 0.254 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 307' ' ' ALA . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD13 HE21 ' B' ' 336' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 HG23 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 11' ' ' MET . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' LEU . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . 0.519 HE21 HD13 ' A' ' 13' ' ' LEU . 8.5 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.814 0.34 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.469 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.465 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.72 0.295 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.464 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.084 0 CA-C-O 120.73 0.3 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.615 ' HB3' HD13 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 8' ' ' ASN . 97.1 mt . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.58 0.229 . . . . 0.0 111.408 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 332' ' ' LEU . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.633 HG23 HD11 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . 0.474 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.595 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' B' ' 353' ' ' LEU . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.42 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 378' ' ' GLN . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 375' ' ' GLU . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . 0.427 HD23 ' OD1' ' A' ' 8' ' ' ASN . 93.7 mt . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 7.7 m120 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' B' ' 303' ' ' GLU . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD11 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . 0.404 ' HB3' ' SD ' ' A' ' 11' ' ' MET . 2.3 mp0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.706 0.289 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.477 ' HB2' HD21 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . 0.537 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . 0.537 ' HD2' HE22 ' B' ' 339' ' ' GLN . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.322 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 353' ' ' LEU . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.632 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.418 ' N ' HG12 ' B' ' 358' ' ' VAL . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.632 HG21 HG13 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.7 t-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD11 HG23 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.805 0.336 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . 0.511 HG23 HD11 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.453 ' HB2' HD21 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' B' ' 361' ' ' GLN . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' B' ' 357' ' ' GLU . 79.2 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.637 HD22 HG12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.729 0.299 . . . . 0.0 111.502 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.637 HG12 HD22 ' A' ' 8' ' ' ASN . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.763 0.316 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.416 ' O ' HD12 ' B' ' 332' ' ' LEU . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' ASN . . . . . 0.55 HD22 ' N ' ' B' ' 341' ' ' ASN . 0.9 OUTLIER -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . 0.575 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 358' ' ' VAL . . . . . 0.478 ' O ' HG23 ' B' ' 362' ' ' VAL . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 358' ' ' VAL . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 373' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 379' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.53 98.74 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.7 p30 -169.96 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.33 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.7 mm -126.64 -45.46 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 13' ' ' LEU . 64.2 tt0 -56.08 -33.83 65.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.0 ttm -62.64 -54.63 36.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.09 -28.88 69.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.779 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 10' ' ' GLN . 69.6 mt -64.47 -52.85 55.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.865 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -62.58 -37.91 88.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.02 75.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.061 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.48 97.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -66.66 -25.32 66.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -74.18 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD11 HG23 ' B' ' 308' ' ' ILE . 27.3 mt -58.7 -39.69 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.06 -59.5 4.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.775 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . 0.467 HD12 ' N ' ' B' ' 296' ' ' LEU . 5.8 mp 55.28 -169.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -143.39 -23.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.742 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -74.24 168.84 18.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -141.96 11.95 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . 0.589 HE21 ' HG3' ' B' ' 303' ' ' GLU . 21.8 tt0 -98.05 113.64 64.11 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.721 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.12 0.98 6.47 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.651 2.234 . . . . 0.0 112.717 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.9 t -75.45 -41.57 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.589 ' HG3' HE21 ' B' ' 300' ' ' GLN . 44.8 mt-10 -60.65 -41.29 94.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.32 -46.02 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -60.54 -42.04 95.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -64.64 -36.46 84.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.22 -51.76 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.94 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.557 HG23 HD11 ' A' ' 19' ' ' LEU . 51.3 mt -61.92 -37.65 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -63.59 -44.13 94.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 111.41 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . 0.409 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 58.9 t80 -66.63 -55.79 13.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.326 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.48 -38.58 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -68.98 -35.61 76.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.098 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -63.07 -39.42 94.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . 0.409 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 71.3 mt -70.95 -46.24 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.44 -32.15 72.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.076 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.5 -41.12 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -67.06 -29.82 69.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.43 24.47 11.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.09 -29.87 61.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.758 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -67.72 -41.12 89.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.414 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 323' ' ' ASP . 53.0 tt0 -113.26 93.74 27.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 120.379 0.133 . . . . 0.0 110.68 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -64.47 -12.67 34.46 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.374 2.049 . . . . 0.0 112.406 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . 0.428 ' HB3' HE21 ' B' ' 321' ' ' GLN . 14.9 t70 -65.87 -42.68 90.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.039 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 47.3 mm -63.35 -44.9 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -60.78 -54.79 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -56.97 -35.36 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.735 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.438 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.0 -57.34 13.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.474 ' HA ' HD12 ' B' ' 331' ' ' ILE . 36.3 t80 -51.89 -46.7 64.64 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.9 mt -56.03 -50.69 70.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.765 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.32 -36.92 69.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' B' ' 328' ' ' PHE . 84.6 mt -60.56 -50.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.505 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 16.0 mt -62.72 -42.34 99.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.08 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -58.31 -46.57 85.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.806 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 48.0 m -60.21 -45.2 94.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.67 -36.47 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.49 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.536 HE22 ' HB2' ' B' ' 340' ' ' ARG . 0.0 OUTLIER -65.26 -49.96 67.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.709 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -60.09 -35.7 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.49 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 15.5 mm-40 -70.56 -47.8 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.188 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.85 -43.87 97.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . 0.536 ' HB2' HE22 ' B' ' 336' ' ' GLN . 67.8 ttt180 -65.32 -41.84 93.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.859 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -57.81 -45.16 86.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.462 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.81 87.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.6 -20.53 64.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.27 -18.17 21.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.793 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -77.46 -3.6 41.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 91.4 -63.83 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.527 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -169.9 -49.8 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.63 95.5 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -173.78 143.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -121.54 104.74 39.56 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.65 150.96 87.35 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.409 2.073 . . . . 0.0 112.317 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -97.78 -8.09 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.261 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.49 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 47.2 tp -137.52 110.24 7.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.0 p -115.87 -173.9 2.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.25 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.48 -49.26 78.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.71 -43.99 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.18 -40.57 90.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.532 ' O ' HG23 ' B' ' 362' ' ' VAL . 42.5 t -65.61 -44.35 93.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.539 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -57.39 -41.8 80.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.617 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.0 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.489 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -61.15 -52.0 66.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 358' ' ' VAL . 49.0 t -60.17 -32.92 51.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.23 -45.55 80.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -65.16 -39.67 93.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.326 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . 0.544 ' HG ' ' CD1' ' B' ' 366' ' ' PHE . 0.1 OUTLIER -74.96 -31.09 61.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.472 -179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.544 ' CD1' ' HG ' ' B' ' 365' ' ' LEU . 12.1 m-30 -101.17 93.61 5.55 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.816 0.341 . . . . 0.0 110.333 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -99.27 143.18 29.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 65.1 t30 61.3 10.61 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.158 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -125.9 60.52 1.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.38 -22.56 61.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.97 -51.52 69.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.75 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.61 -45.1 88.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.5 tp -59.11 -32.14 69.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 68.2 m -70.72 -51.92 24.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.6 -31.6 64.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.33 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -74.71 -40.06 61.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.75 75.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.373 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.684 0.278 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.558 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 67.8 m-85 -63.41 -33.22 75.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 59.6 mt -68.58 131.28 91.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 -173.72 0.8 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.42 2.08 . . . . 0.0 112.265 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.4 90.09 2.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.074 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' A' ' 10' ' ' GLN . 12.8 mmm180 . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.848 0.356 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 39.2 ttp -96.22 40.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.497 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.62 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.5 t-20 -139.01 -73.63 0.39 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.34 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.0 mt -71.77 -37.14 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.019 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.554 ' HG3' ' HB2' ' A' ' 6' ' ' ARG . 91.2 mt-30 -58.89 -42.85 90.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 111.137 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.6 -46.68 88.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.226 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.253 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.48 -46.54 66.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.856 0.36 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.27 -35.71 81.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.76 -50.18 63.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.977 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.69 -39.44 91.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.69 -29.0 65.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.436 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -68.13 -57.29 6.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.922 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.641 HD11 HG23 ' B' ' 308' ' ' ILE . 15.5 mt -61.21 -48.75 80.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.829 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.85 -32.03 73.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.758 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.356 -0.83 . . . . 0.0 110.896 179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 84.0 mt -107.01 -171.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' B' ' 297' ' ' GLN . 5.6 pm0 -103.57 163.41 12.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.031 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -127.95 -39.99 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -87.37 119.6 27.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.779 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 58.64 90.7 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -80.97 48.07 2.78 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.513 2.142 . . . . 0.0 112.231 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.36 -49.16 66.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.12 -41.86 79.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.789 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -61.5 -39.18 90.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.434 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -60.75 -49.56 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.372 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -62.44 -32.37 73.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.64 40.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.641 HG23 HD11 ' A' ' 19' ' ' LEU . 54.6 mt -61.41 -40.04 84.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.96 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.98 -29.61 70.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -71.29 -55.95 7.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.89 -35.46 64.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.687 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -72.02 -33.93 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.66 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -65.03 -43.75 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.591 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.5 -41.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.56 -31.41 72.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -78.14 -48.81 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -65.13 -56.86 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -83.92 31.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.019 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -59.89 -43.97 94.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.79 -16.7 64.07 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.607 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -123.78 90.27 50.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.47 0.176 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -70.67 -8.66 24.12 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.414 2.076 . . . . 0.0 112.183 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -68.92 -44.38 73.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 41.6 mm -63.19 -36.32 75.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -66.71 -55.14 16.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.666 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -60.19 -31.71 70.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.418 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.25 -57.41 9.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 30.9 t80 -52.95 -45.63 67.8 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.27 -41.8 89.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.428 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.82 -33.54 76.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.624 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.418 HG13 ' O ' ' B' ' 327' ' ' ALA . 92.6 mt -64.62 -51.29 69.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.3 mt -64.78 -39.73 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -60.03 -52.59 64.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 35.8 m -58.51 -51.52 69.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.82 -28.08 68.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.986 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -70.44 -46.11 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -64.44 -45.2 88.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.42 -48.24 80.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.058 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -62.63 -35.46 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.608 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -66.5 -40.44 89.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.562 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -68.52 -35.59 77.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.5 -46.89 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.943 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.49 -33.74 71.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -64.54 -46.21 83.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.425 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.24 60.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 107.43 -116.01 4.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -105.83 -7.22 36.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.259 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -99.9 -162.59 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.535 0.207 . . . . 0.0 110.672 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 47.4 t80 64.03 104.62 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.911 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 7.0 t -83.7 130.51 55.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 3.5 Cg_exo -74.88 152.42 41.39 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.628 2.219 . . . . 0.0 112.393 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.99 -51.53 15.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.438 ' HA ' ' HG3' ' B' ' 357' ' ' GLU . 8.6 mp -107.26 117.72 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.671 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.6 p -103.5 -169.37 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.005 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.15 -38.09 85.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -68.03 -41.29 82.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . 0.438 ' HG3' ' HA ' ' B' ' 353' ' ' LEU . 8.6 mm-40 -60.18 -47.09 87.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.786 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.502 ' O ' HG23 ' B' ' 362' ' ' VAL . 75.2 t -62.6 -58.33 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.963 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -50.33 -35.12 26.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.3 -55.72 12.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.433 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -60.78 -51.0 71.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.1 t -55.58 -42.42 68.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.75 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.83 -35.51 81.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -63.67 -46.14 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.65 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.1 -34.34 78.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.408 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' B' ' 369' ' ' GLN . 58.1 m-85 -110.65 71.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.698 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -88.79 -19.55 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.686 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -104.46 -35.42 7.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' B' ' 366' ' ' PHE . 25.1 mt-30 -110.88 81.81 1.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.47 -19.73 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.54 -50.46 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.491 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -42.8 97.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 26.4 tp -59.94 -38.43 82.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.356 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 51.2 m -63.2 -46.18 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.096 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -57.55 -38.68 75.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.986 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -66.52 -35.12 79.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.288 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -68.61 -34.95 79.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.395 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -54.64 -58.56 7.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 110.688 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.62 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 81.9 m-85 -59.02 -33.35 70.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.87 121.88 81.44 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.596 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -80.11 24.15 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.507 2.138 . . . . 0.0 112.917 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -132.38 11.69 4.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.064 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.734 0.302 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 40.7 ttp -102.91 110.28 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -173.58 -39.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 179.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.49 HG22 HD23 ' A' ' 13' ' ' LEU . 87.9 mt -145.19 -32.86 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.769 0.318 . . . . 0.0 111.046 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -52.69 -36.87 57.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.5 tpp -61.86 -46.85 87.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.55 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.89 -38.49 82.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.427 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.49 HD23 HG22 ' A' ' 9' ' ' ILE . 4.2 mm? -60.78 -51.01 71.17 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -58.81 -36.87 75.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.33 -58.11 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.63 78.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.351 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -66.05 -32.53 74.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.799 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -68.25 -57.55 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD11 HG23 ' B' ' 308' ' ' ILE . 19.9 mt -58.09 -43.27 86.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.35 -48.99 77.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.895 -179.818 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.817 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.6 mt -109.43 140.94 42.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -137.12 -7.07 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.745 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -99.92 -171.8 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.71 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 13.9 m120 60.69 13.47 4.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 64.49 146.22 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.35 1.07 9.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.692 2.262 . . . . 0.0 112.217 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.38 -45.78 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.24 -34.52 72.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -63.48 -49.6 72.95 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.315 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -59.93 -35.55 75.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.281 179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -66.93 -38.66 86.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.334 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.52 -47.62 84.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.404 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.69 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -65.06 -36.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.86 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -64.12 -40.85 97.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -66.28 -55.45 15.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.911 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.7 t -56.62 -38.39 57.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.11 -34.2 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -63.14 -43.59 97.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 64.9 mt -67.39 -47.12 82.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.166 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -57.52 -39.07 75.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -80.19 -28.44 38.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -64.99 -52.66 54.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.65 46.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -59.56 -35.0 73.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.737 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -74.43 -23.15 76.27 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.267 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -121.0 92.05 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.555 0.217 . . . . 0.0 110.977 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -70.45 -13.03 32.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.29 -35.0 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 25.5 mm -66.52 -46.58 86.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -63.08 -52.65 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.751 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -57.61 -36.13 71.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.723 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.405 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -62.69 -52.27 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -53.1 -48.7 67.61 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.709 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.73 -42.63 84.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.809 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.4 -34.68 77.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 327' ' ' ALA . 88.4 mt -65.59 -54.23 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.794 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.51 -31.57 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -66.11 -54.54 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 55.0 m -60.72 -39.06 87.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -61.74 -58.91 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.098 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -58.82 -35.78 73.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.644 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -66.82 -47.01 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.416 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -60.63 -47.11 87.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.075 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -60.72 -41.02 94.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.7 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -61.2 -49.07 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.43 -28.34 69.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.98 -51.56 53.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.247 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -65.25 -40.08 93.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.82 -31.92 72.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.68 -42.51 95.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 62.05 63.21 4.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 150.26 -150.51 22.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -63.45 125.61 24.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.026 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -160.74 -28.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . 0.452 ' HA ' ' HD2' ' B' ' 351' ' ' PRO . 2.9 t 34.99 90.17 0.07 OUTLIER Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.239 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' B' ' 350' ' ' THR . 18.1 Cg_endo -59.19 138.13 83.12 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.725 2.283 . . . . 0.0 112.086 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -85.56 6.42 27.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.4 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.79 124.45 21.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.577 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -127.29 -177.27 4.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.411 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -63.51 -47.36 82.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.037 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -56.8 -44.57 82.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.27 -37.75 81.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.495 ' O ' HG23 ' B' ' 362' ' ' VAL . 40.8 t -66.07 -58.34 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.844 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -52.16 -34.0 42.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.67 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.96 28.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.264 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -61.94 -51.94 66.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.8 t -55.49 -38.0 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.701 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.62 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -67.96 -38.57 82.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.707 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -61.21 -40.26 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.556 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.05 -42.54 80.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 28.8 m-85 -101.34 96.78 7.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -92.97 -18.05 23.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -125.06 -22.26 4.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 27.7 mm-40 -84.89 80.06 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -77.16 -29.44 54.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.056 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.56 -47.0 87.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.309 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.24 -53.82 51.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' B' ' 363' ' ' ALA . 6.4 mt -56.39 -39.42 72.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -56.62 -54.4 46.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.745 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 0.6 OUTLIER -61.29 -31.49 71.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -77.84 -19.32 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -85.92 -38.87 8.36 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.417 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 28.8 pt20 -54.72 -30.85 57.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.837 0.318 . . . . 0.0 111.234 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.6 -38.0 62.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.934 0.397 . . . . 0.0 110.834 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.09 154.26 51.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.95 -166.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.631 2.221 . . . . 0.0 112.342 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -92.0 95.05 9.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.114 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 5.2 mmp_? . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.672 0.272 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 7' ' ' MET . 54.4 ttp -143.18 -3.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.031 0.443 . . . . 0.0 110.814 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.515 ' HB2' HD12 ' A' ' 9' ' ' ILE . 8.9 m120 -89.21 -68.15 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.687 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 8' ' ' ASN . 4.3 mp -90.58 -52.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.743 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.503 HE21 ' HG3' ' A' ' 14' ' ' GLU . 24.5 tp60 -52.39 -33.36 43.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.522 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.3 ttt -62.67 -60.41 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.088 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.4 -32.83 69.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' B' ' 332' ' ' LEU . 18.7 mt -64.71 -50.62 66.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.164 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.503 ' HG3' HE21 ' A' ' 10' ' ' GLN . 43.6 mt-10 -59.89 -39.45 85.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.525 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.85 96.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.817 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.79 -48.19 75.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.88 -26.2 67.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.267 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.77 -58.59 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.597 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.623 HD11 HG23 ' B' ' 308' ' ' ILE . 38.5 mt -59.96 -51.16 70.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.94 -24.77 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 96.5 mt 60.83 100.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -107.52 104.76 14.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -140.5 163.17 33.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -83.18 -71.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.382 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -80.4 138.99 51.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.242 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -85.1 8.24 4.73 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.3 -46.36 92.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -59.01 -48.59 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -58.06 -42.89 86.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.245 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.17 -32.02 72.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.076 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -70.1 -36.63 75.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.189 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.27 76.59 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.759 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.623 HG23 HD11 ' A' ' 19' ' ' LEU . 57.1 mt -66.01 -41.25 89.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.53 -36.92 84.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.33 -55.83 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.64 -34.8 56.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -71.68 -35.11 70.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.486 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -63.81 -45.87 87.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.53 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.13 -45.45 90.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.654 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.22 -31.66 72.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -73.14 -47.37 44.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.56 -56.66 19.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.06 37.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -58.7 -41.75 87.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.13 -29.97 72.05 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.44 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -112.71 89.04 12.37 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.494 0.188 . . . . 0.0 110.989 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.81 -10.3 28.2 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.398 2.065 . . . . 0.0 112.196 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.01 -44.58 92.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 36.7 mm -62.32 -45.64 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.675 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.84 -48.49 81.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.368 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -61.44 -35.93 78.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.556 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -59.28 -52.93 63.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.741 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -57.31 -46.63 83.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.453 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.96 -40.5 76.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.618 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.1 -37.58 86.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.17 -47.55 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.664 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.563 ' HB2' HD21 ' A' ' 13' ' ' LEU . 22.1 mt -66.55 -38.74 87.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -60.72 -49.44 77.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.421 HG22 ' HG ' ' B' ' 353' ' ' LEU . 28.7 m -61.78 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.45 -39.1 86.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -71.87 -30.55 65.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.8 -49.16 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.576 ' HG3' HD23 ' B' ' 353' ' ' LEU . 11.0 mm-40 -66.17 -41.92 89.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.772 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.33 -49.8 75.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.746 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -62.32 -36.16 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.531 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . 0.417 ' C ' HD22 ' B' ' 341' ' ' ASN . 0.2 OUTLIER -60.41 -52.51 64.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.217 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -57.73 -42.73 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -69.76 -23.92 63.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -76.92 -35.16 57.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.91 82.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 69.08 97.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.527 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 132.33 -107.89 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -125.44 128.95 48.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -138.14 148.41 44.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.671 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.5 t -114.15 84.22 8.89 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.555 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -83.33 165.84 14.37 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.668 2.245 . . . . 0.0 112.394 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -99.12 -23.48 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.576 HD23 ' HG3' ' B' ' 338' ' ' GLU . 4.5 mm? -93.19 122.77 35.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . 0.535 ' H ' ' HB3' ' B' ' 357' ' ' GLU . 64.2 p -133.85 179.84 5.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.45 -49.38 77.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.02 -35.51 81.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.638 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . 0.535 ' HB3' ' H ' ' B' ' 354' ' ' THR . 9.3 tp10 -58.19 -55.36 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.458 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.506 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.6 t -57.72 -49.93 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.685 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -51.12 -38.87 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.0 -55.99 12.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.473 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -56.78 -52.05 66.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 358' ' ' VAL . 42.5 t -57.55 -37.65 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.662 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.26 97.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -63.48 -45.72 89.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.677 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.33 -54.98 39.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.799 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.26 39.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -55.81 -21.65 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -90.9 -41.76 10.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.71 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -103.81 88.86 3.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.01 -25.25 52.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.81 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -55.93 -39.27 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.415 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 6.1 mp -63.49 -45.83 88.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.174 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 23.9 tp -59.17 -33.48 70.98 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 49.7 m -66.49 -49.19 67.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.155 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -57.36 -35.56 70.1 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.174 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -75.73 -29.47 58.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.309 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.96 65.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -55.06 -36.45 65.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.661 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.494 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 97.2 m-85 -64.02 -55.48 21.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.567 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 69.2 mt -57.82 155.81 21.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.19 -163.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.673 2.248 . . . . 0.0 112.271 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.4 -3.49 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.104 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 99.3 mtt180 . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.3 ptm -130.76 25.56 5.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.647 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.2 p30 -129.73 -61.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.63 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.5 mm -104.51 -43.36 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.442 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -65.47 -45.09 85.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.638 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.39 -48.71 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.534 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.48 -42.81 91.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.4 -31.25 71.34 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.101 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -44.23 80.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.907 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.61 95.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HA ' HG11 ' B' ' 311' ' ' VAL . . . -62.5 -39.59 94.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.619 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -70.46 -25.26 63.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -69.98 -57.0 5.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.652 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.631 HD11 HG23 ' B' ' 308' ' ' ILE . 50.7 mt -62.35 -52.69 62.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.97 -60.97 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.735 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.389 -0.815 . . . . 0.0 111.044 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 83.9 mt 62.0 110.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.21 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -95.1 140.63 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.723 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -94.84 114.79 26.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -158.68 -68.33 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.18 64.34 3.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.58 108.22 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.588 2.192 . . . . 0.0 112.424 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -69.63 -37.35 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.958 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.67 -34.86 78.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.972 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -65.32 -48.47 72.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.692 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -61.45 -43.93 98.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -62.89 -34.99 78.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.413 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.25 65.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.689 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.631 HG23 HD11 ' A' ' 19' ' ' LEU . 36.7 mt -60.15 -37.21 72.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.743 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -65.17 -39.75 93.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.685 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -64.66 -54.16 36.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.633 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 16' ' ' ALA . 38.3 t -59.72 -37.64 72.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.669 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.98 -34.71 78.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.363 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -65.52 -45.95 81.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.43 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . 0.512 HG12 HD23 ' B' ' 372' ' ' LEU . 72.1 mt -65.62 -38.96 83.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.91 -31.51 69.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.474 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -78.09 -48.88 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.322 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -64.84 -57.35 9.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.327 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -86.06 30.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.073 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.02 -40.82 95.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.95 -10.46 64.89 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.601 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -120.74 97.44 48.45 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.44 0.162 . . . . 0.0 110.83 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.2 -23.25 10.5 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.357 2.038 . . . . 0.0 112.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -69.22 -39.22 78.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.7 mm -64.12 -56.66 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.184 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.29 -49.46 76.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.66 -36.73 72.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.53 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.408 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.74 -57.56 12.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.54 ' HA ' HD12 ' B' ' 331' ' ' ILE . 39.1 t80 -51.39 -44.72 62.27 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.493 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -56.81 -47.17 80.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.327 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.58 -34.48 74.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.765 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' B' ' 328' ' ' PHE . 76.8 mt -60.94 -53.44 49.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.0 0.429 . . . . 0.0 110.324 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.55 -36.53 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -59.64 -53.34 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.413 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.2 m -57.24 -39.47 75.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.554 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -58.05 -46.57 85.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.606 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -64.75 -38.03 89.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.249 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -62.61 -40.48 97.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.467 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 17.5 mm-40 -68.25 -44.28 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.038 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.04 -49.56 77.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.874 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.17 -38.78 92.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.16 -41.67 93.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.64 -38.49 73.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.003 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -67.3 -28.52 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -92.37 -22.4 19.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.48 81.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 130.36 -63.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -167.66 -74.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -69.0 113.09 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.098 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -162.91 143.8 9.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.686 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -118.27 92.15 42.33 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.484 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -65.47 164.55 25.65 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -104.95 0.93 28.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.467 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 0.7 OUTLIER -136.84 118.43 14.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.456 -179.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 61.6 p -125.61 -169.29 1.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -63.88 -48.6 76.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -59.44 -43.16 93.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -55.88 -42.11 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.535 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.479 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.2 t -63.2 -56.67 15.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.666 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -48.52 -35.39 13.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.49 -53.85 20.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.392 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -60.26 -50.87 71.93 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.422 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 358' ' ' VAL . 22.4 t -58.1 -43.13 84.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.402 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -62.56 -36.85 83.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.707 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -61.97 -49.08 77.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.683 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.91 -52.16 64.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -92.36 95.24 9.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -107.16 -20.16 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.753 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -102.36 -13.24 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -123.76 80.99 1.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -77.3 -24.0 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -56.22 -50.94 69.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.747 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . 0.512 HD23 HG12 ' B' ' 314' ' ' ILE . 9.6 mp -59.2 -43.11 92.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 363' ' ' ALA . 29.3 tp -60.91 -34.72 75.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.594 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 44.7 t -66.05 -51.6 56.67 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.664 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.11 -37.39 69.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.129 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -66.66 -39.74 88.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.396 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -64.86 -33.78 88.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.277 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -57.38 -52.05 66.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.729 0.3 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.647 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 79.0 m-85 -60.71 -42.35 97.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.9 134.07 87.01 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.663 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.38 166.82 25.8 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.334 2.023 . . . . 0.0 112.349 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -68.24 -28.69 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.219 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 10.1 ttp -124.95 -162.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' H ' ' HG2' ' A' ' 7' ' ' MET . 10.4 m120 64.26 -83.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.399 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.8 mt -80.97 -43.35 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.345 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -52.35 -38.84 59.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.929 0.395 . . . . 0.0 110.742 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -46.29 90.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.408 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.37 -37.09 79.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.425 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.79 -53.05 62.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -55.61 -43.82 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.62 68.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.562 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.14 74.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.87 -22.18 66.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.106 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -74.25 -58.2 3.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.846 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD11 HG23 ' B' ' 308' ' ' ILE . 20.8 mt -58.76 -45.32 90.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.03 -56.23 24.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 7.9 tpm_? . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 tp -142.63 112.03 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.84 146.32 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -80.41 115.96 20.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.7 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -110.79 179.09 4.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.115 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -64.75 150.36 94.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -73.58 3.09 5.11 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.541 2.161 . . . . 0.0 112.304 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 41.4 t -74.12 -45.28 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.33 -38.79 77.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -63.54 -40.4 96.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.575 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -63.02 -46.97 85.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.69 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -65.46 -30.04 70.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.684 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -64.97 -51.58 60.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.71 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 19' ' ' LEU . 74.5 mt -66.92 -36.54 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -64.22 -39.23 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -69.29 -54.75 13.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.81 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 68.2 t -58.29 -36.25 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.18 -36.62 72.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -61.92 -43.7 98.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.495 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 84.0 mt -71.81 -37.69 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -65.6 -36.4 83.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.022 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -81.6 -34.55 30.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -65.01 -43.87 91.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -104.57 35.67 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -56.86 -33.79 67.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -81.72 -18.33 68.35 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.327 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -117.25 94.5 45.23 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.431 0.158 . . . . 0.0 110.733 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -73.72 -18.42 22.21 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.406 2.071 . . . . 0.0 112.615 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.66 -38.1 89.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.013 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.142 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -60.44 -52.38 65.46 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.801 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.85 -34.37 75.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.12 58.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.93 -51.09 70.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 75.5 mt -58.69 -35.48 72.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -66.16 -38.65 88.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.783 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.0 -50.08 76.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.22 -33.74 76.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 5.9 t-80 -66.68 -50.18 63.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.821 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.432 HG22 ' HG ' ' B' ' 353' ' ' LEU . 32.6 m -60.85 -42.02 97.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -60.23 -48.88 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' B' ' 336' ' ' GLN . 1.0 OUTLIER -65.33 -32.7 74.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.206 -179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.9 -52.04 58.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.55 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' B' ' 353' ' ' LEU . 0.5 OUTLIER -66.63 -41.44 88.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.648 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -61.93 -48.89 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.62 0.248 . . . . 0.0 111.137 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -63.5 -45.98 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -62.1 -32.03 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.071 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -70.04 -49.08 54.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -67.17 -24.79 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.85 -32.24 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.807 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -69.8 -42.18 74.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.08 77.03 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.399 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -63.91 124.02 20.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.762 0.315 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -155.23 -35.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.6 t 36.19 85.76 0.15 Allowed Pre-proline 0 N--CA 1.466 0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.065 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.8 -167.47 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.82 2.347 . . . . 0.0 112.337 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.62 -0.33 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.249 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' B' ' 338' ' ' GLU . 4.5 mm? -109.81 123.69 50.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.031 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.2 p -129.61 176.0 8.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.214 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.07 -46.49 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -64.97 -41.5 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.177 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -57.9 -46.85 84.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.51 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.467 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.1 t -60.61 -52.93 55.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -49.8 -38.51 34.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.33 -56.01 13.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.418 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -57.59 -52.49 65.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.488 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.2 t -55.96 -41.54 68.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.741 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.77 80.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.666 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -63.63 -47.37 81.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.582 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.76 -39.64 94.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -105.72 43.9 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.54 -18.74 54.23 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -98.68 -41.59 7.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -97.76 87.37 4.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.88 -22.44 53.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.751 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -60.26 -39.5 87.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.38 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.47 -45.23 93.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.105 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.45 -42.54 99.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.382 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 39.2 t -56.86 -46.86 81.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.407 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.77 -39.66 89.64 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.021 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -69.52 -22.31 63.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.45 -32.97 23.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.533 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -52.27 -37.11 54.58 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.771 0.319 . . . . 0.0 110.742 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.439 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.8 m-85 -70.08 -50.95 35.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.642 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.04 138.88 72.22 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -81.43 141.28 12.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.484 2.122 . . . . 0.0 112.537 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 20.7 t70 59.82 14.53 4.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.33 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.165 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.527 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 25.1 ptt? -98.81 10.17 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.8 OUTLIER -89.3 -73.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.161 -179.586 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.1 mp -103.79 -41.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.38 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.68 -28.37 60.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.348 . . . . 0.0 111.216 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.527 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 15.0 tpt -68.34 -61.7 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.062 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -55.45 -36.03 66.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.797 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -63.46 -48.82 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.89 -39.16 73.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.37 96.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.934 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.55 72.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -63.92 -29.62 70.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -63.28 -58.31 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.007 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD11 HG23 ' B' ' 308' ' ' ILE . 39.0 mt -60.08 -53.47 57.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -52.89 -61.06 2.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.919 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.67 0.271 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.62 121.13 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.042 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' B' ' 300' ' ' GLN . 6.6 tp-100 -57.67 151.72 16.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.202 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.77 -62.99 1.46 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.303 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -156.05 4.94 0.18 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.582 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . 0.436 ' HB2' ' HG2' ' B' ' 297' ' ' GLN . 48.6 mt-30 -83.63 118.35 71.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.773 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -80.49 15.8 1.69 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.505 2.137 . . . . 0.0 112.583 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 49.4 t -68.53 -61.65 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.08 -33.44 69.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.745 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -63.61 -46.5 85.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.509 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -63.86 -37.82 88.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.627 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -63.05 -44.34 96.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.405 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.95 83.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.634 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.62 HG23 HD11 ' A' ' 19' ' ' LEU . 63.4 mt -62.21 -33.07 56.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.949 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.14 -47.44 74.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' B' ' 314' ' ' ILE . 75.2 t80 -62.51 -53.16 58.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 57.5 t -57.93 -41.16 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -67.1 -30.93 71.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.344 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.32 -51.92 61.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.395 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' B' ' 310' ' ' TYR . 68.7 mt -61.99 -40.11 86.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.5 -31.82 72.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.134 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -81.3 -28.71 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.374 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . 0.514 ' HE ' ' HA ' ' B' ' 317' ' ' ARG . 3.9 mmp_? -75.44 -52.11 11.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.136 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -90.16 38.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.033 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.64 -24.5 67.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -86.55 -33.28 13.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.712 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -111.48 93.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 122.92 -0.165 . . . . 0.0 110.998 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 -11.57 30.69 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.361 2.041 . . . . 0.0 112.285 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.81 -45.89 73.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.76 -44.76 98.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -59.72 -50.95 71.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.25 -45.89 86.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.448 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -56.19 -44.98 79.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -56.46 -56.91 15.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.328 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.5 mt -56.62 -31.57 64.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.565 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -66.76 -35.39 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 109.981 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.448 HG13 ' O ' ' B' ' 327' ' ' ALA . 86.7 mt -65.72 -56.33 15.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.218 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.474 ' H ' HD12 ' B' ' 332' ' ' LEU . 6.2 mp -58.83 -37.58 76.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.169 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.1 -53.38 56.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.2 m -58.16 -37.48 74.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -62.45 -44.2 96.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.245 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -67.12 -31.2 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.807 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -67.78 -47.17 69.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.804 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.457 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.4 mm-40 -64.6 -42.37 95.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.53 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.477 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . 0.585 ' HA ' ' HE2' ' B' ' 343' ' ' LYS . 78.2 ttt180 -65.03 -47.51 77.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.48 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.76 -32.03 73.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.693 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.76 21.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.532 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 340' ' ' ARG . 62.3 pttt -67.88 -27.53 66.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -80.91 -24.23 38.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.776 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.86 92.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 63.61 89.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.612 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 126.61 -156.2 19.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.45 120.38 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -167.03 141.95 4.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.5 t -126.45 137.46 30.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -88.14 148.0 6.67 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.725 2.283 . . . . 0.0 112.364 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -77.37 -2.87 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.457 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 9.8 tt -140.24 119.71 13.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.488 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 69.6 p -117.28 -173.52 2.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.425 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.49 -32.88 73.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -64.98 -52.12 58.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.21 -37.69 67.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.511 ' O ' HG23 ' B' ' 362' ' ' VAL . 54.6 t -63.32 -57.59 11.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.599 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -49.03 -37.94 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.65 -56.6 12.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.571 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.04 -51.1 71.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.379 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 358' ' ' VAL . 43.9 t -55.2 -38.51 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.588 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.597 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -71.59 -32.24 67.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' B' ' 364' ' ' ARG . 4.2 tmt_? -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.085 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.91 -40.42 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.931 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.35 95.23 7.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.963 0.411 . . . . 0.0 110.976 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -96.4 -16.79 21.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.459 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -130.06 -4.95 4.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.985 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.72 56.1 0.7 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.69 -24.91 67.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -58.49 -43.42 89.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -62.53 -38.82 91.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.597 HD11 ' HA ' ' B' ' 363' ' ' ALA . 12.7 mt -66.4 -36.16 82.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.835 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.6 t -65.02 -55.2 20.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.954 0.407 . . . . 0.0 110.384 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -57.99 -33.63 69.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.37 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -76.25 -24.48 54.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.374 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -80.37 -26.62 54.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.278 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.42 -29.9 59.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.76 0.314 . . . . 0.0 111.091 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.642 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 93.5 m-85 -81.54 -33.04 31.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.805 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 85.1 mt -78.61 145.6 67.56 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.73 160.39 16.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.538 2.159 . . . . 0.0 112.457 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.8 t70 59.22 18.38 6.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.073 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.022 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.777 0.322 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.699 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 19.2 ttp -70.94 -170.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.593 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.699 ' H ' ' HG2' ' A' ' 7' ' ' MET . 10.7 m120 69.1 -76.02 0.06 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.446 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -65.84 -48.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.761 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.71 -24.39 34.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.161 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mmm -69.46 -51.47 35.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.74 -37.3 87.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.04 -57.51 9.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.8 -40.4 72.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.59 95.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -49.71 75.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -64.85 -28.03 69.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -66.83 -58.36 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.666 HD11 HG23 ' B' ' 308' ' ' ILE . 37.9 mt -59.04 -52.56 65.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.408 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.19 -41.95 85.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.359 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.869 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.2 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 48.4 tp -105.5 -24.69 12.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -60.26 159.97 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -114.04 -65.24 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.984 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -132.74 -24.23 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.92 92.06 49.39 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.035 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.06 18.52 0.89 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.549 2.166 . . . . 0.0 112.608 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.1 -32.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.13 -38.31 85.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.767 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -65.83 -44.08 86.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.564 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . 0.429 HD21 HD21 ' B' ' 309' ' ' ASN . 7.6 t30 -62.0 -42.84 99.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.687 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -64.82 -37.25 86.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.564 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.21 93.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.792 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.666 HG23 HD11 ' A' ' 19' ' ' LEU . 39.6 mt -64.27 -44.93 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.429 HD21 HD21 ' B' ' 305' ' ' ASN . 81.1 m-20 -63.34 -36.42 83.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.103 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -66.71 -53.45 33.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.63 -40.9 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.64 -32.5 73.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.694 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.14 -48.39 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 74.4 mt -65.6 -37.32 79.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -67.81 -35.57 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -81.53 -26.61 34.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -78.19 -38.26 43.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.217 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.98 35.16 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.148 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.7 -30.54 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.91 -48.5 20.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.545 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -100.58 98.03 7.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.383 0.135 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.91 -18.8 36.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.322 2.015 . . . . 0.0 112.041 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -63.66 -35.67 81.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 21.1 mm -63.05 -52.54 57.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -58.44 -48.63 80.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.757 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -64.49 -28.67 69.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.711 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.28 -49.76 66.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -60.57 -50.04 75.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.601 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.48 -41.68 90.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.83 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.52 -45.04 95.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 98.4 mt -60.4 -49.02 85.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.82 -39.35 88.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -58.85 -48.38 81.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.07 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 97.5 m -59.72 -35.74 75.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.154 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -63.29 -37.84 88.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.344 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -69.48 -38.77 77.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.862 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.24 -52.26 59.63 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.018 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.76 -39.18 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.23 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -65.36 -40.44 93.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -64.77 -51.38 62.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -61.29 -34.21 74.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.782 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.59 82.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.992 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -75.02 -21.7 58.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -82.71 -27.7 31.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.02 75.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 89.9 -28.09 7.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.567 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 178.14 154.35 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.58 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 59.86 101.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.961 0.41 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -154.54 149.51 26.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.888 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.3 t -113.96 83.42 7.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.62 123.25 6.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.539 2.159 . . . . 0.0 112.651 -179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -93.44 -3.2 53.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.648 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.51 106.88 8.5 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.424 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . 0.525 ' O ' HG23 ' B' ' 358' ' ' VAL . 82.8 p -119.43 169.07 10.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.19 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -48.43 -47.64 37.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.855 0.36 . . . . 0.0 110.594 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -60.44 -38.12 83.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . 0.445 ' HB3' ' H ' ' B' ' 354' ' ' THR . 10.1 tp10 -63.77 -43.35 96.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.572 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 354' ' ' THR . 2.9 t -58.19 -52.64 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.199 0 CA-C-O 120.987 0.422 . . . . 0.0 109.955 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -55.12 -38.43 68.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.79 -63.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.583 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.14 -52.1 65.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.957 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 71.9 t -55.27 -33.79 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.802 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -67.84 -42.89 80.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.577 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -33.14 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.7 -31.47 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.063 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.703 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 25.4 m-85 -105.0 102.42 11.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.778 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -87.48 126.58 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.431 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.49 17.46 7.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.553 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.703 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 14.8 mm100 -107.35 84.48 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.877 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.74 -24.62 53.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.96 -63.44 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.257 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -52.49 -51.93 56.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.487 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.7 -48.38 69.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.394 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.8 m -55.69 -46.27 77.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.753 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -44.49 80.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -65.32 -31.24 72.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.845 0.355 . . . . 0.0 110.388 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -71.43 -31.65 65.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.323 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.44 -46.77 69.96 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.754 0.311 . . . . 0.0 111.002 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -60.19 -60.3 4.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.085 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' B' ' 381' ' ' PRO . 79.9 mt -58.78 126.19 79.62 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.829 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 380' ' ' LEU . 32.5 Cg_exo -61.46 -171.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.473 2.115 . . . . 0.0 112.338 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -59.62 -29.6 68.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.217 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.5 ttp -122.75 101.6 7.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.598 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -165.71 -34.86 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 44.9 mm -132.46 -53.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.048 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -58.12 -20.9 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.025 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.8 tpt -67.45 -63.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.8 mt -62.83 -29.79 71.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.1 tp -70.29 -39.5 74.82 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.79 -40.19 79.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.33 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.72 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.827 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.86 -43.65 74.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.49 -31.4 69.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.973 0.416 . . . . 0.0 110.784 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -72.79 -40.38 65.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.867 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.5 tp -81.2 -22.94 38.5 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.171 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.85 -33.45 73.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 81.7 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 10.3 tt -86.06 121.67 29.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -79.56 128.78 33.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -157.34 -65.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.692 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -143.95 -76.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -120.15 148.66 47.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -79.47 9.51 3.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.558 2.172 . . . . 0.0 112.223 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 44.9 t -71.36 -41.26 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.454 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.68 -33.02 67.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -67.45 -51.13 55.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.772 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -61.96 -37.64 85.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -68.34 -33.7 74.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.279 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.06 67.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.676 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.49 -36.91 78.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.932 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -66.52 -38.85 88.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.621 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -64.27 -51.8 61.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.517 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 83.8 t -56.26 -45.03 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.599 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.36 -31.93 73.31 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -64.24 -40.17 95.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.185 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 63.4 mt -68.17 -43.11 85.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.564 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -64.02 -31.64 72.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.101 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -73.65 -60.18 2.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.284 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -56.47 -35.23 67.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.392 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -109.91 37.37 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.45 -28.65 69.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -75.32 -24.87 69.77 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -121.24 89.24 46.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.497 0.189 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.12 -15.76 43.51 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.358 2.039 . . . . 0.0 112.113 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -65.5 -39.55 92.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.831 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.7 mm -62.22 -45.64 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -61.53 -50.1 74.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.631 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.93 -35.91 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.423 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.81 -54.6 40.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.844 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' HA ' HD12 ' B' ' 331' ' ' ILE . 19.9 t80 -53.29 -47.87 68.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 86.1 mt -58.03 -41.5 83.32 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.399 179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.87 -31.94 73.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' B' ' 328' ' ' PHE . 88.4 mt -66.14 -54.28 28.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.425 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 13.8 mt -66.27 -30.56 71.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.116 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -65.87 -59.65 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.715 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 58.2 m -57.97 -37.04 73.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.805 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -58.26 -58.01 10.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.809 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.88 -32.07 69.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -67.7 -41.71 83.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.031 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -65.06 -49.51 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -65.94 -44.32 85.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.592 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.57 -41.93 91.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.736 0.303 . . . . 0.0 111.066 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.31 -38.32 81.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -65.36 -34.97 79.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.222 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -79.44 -37.39 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.757 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -63.58 -41.38 98.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.63 -39.63 94.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 61.14 17.44 52.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.646 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -136.22 -154.76 6.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.525 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -66.5 106.54 1.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -149.95 147.37 27.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.7 t -139.43 106.67 7.15 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.311 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.84 -177.19 0.17 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.488 2.125 . . . . 0.0 112.189 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -123.13 -6.36 8.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.344 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 31.5 tp -123.67 138.18 54.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.804 0.335 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 72.7 p -129.27 -178.17 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.335 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -66.96 -43.65 82.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -63.32 -48.13 79.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.37 -44.09 75.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.522 ' O ' HG23 ' B' ' 362' ' ' VAL . 56.0 t -61.39 -53.9 42.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.717 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -49.03 -40.14 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.965 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.75 -57.21 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.458 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -54.54 -51.67 64.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.177 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 358' ' ' VAL . 35.6 t -59.17 -37.27 67.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.98 95.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.093 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -62.91 -43.54 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.02 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.86 -54.75 37.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -87.51 45.06 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -55.12 145.93 19.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.696 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 75.36 -47.02 0.59 Allowed 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.609 0.568 . . . . 0.0 111.018 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -88.89 83.43 6.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.373 . . . . 0.0 110.794 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -76.96 -19.89 56.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.26 -52.79 15.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.305 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.5 mp -60.25 -44.2 95.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.067 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.9 tp -60.41 -39.77 88.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.253 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 60.4 p -64.54 -41.93 96.04 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 mt-10 -63.28 -32.66 74.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.157 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -78.08 -26.7 48.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.152 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.99 -34.92 22.91 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.87 -0.681 . . . . 0.0 113.586 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 4.1 pt20 -59.06 -25.8 64.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.864 0.332 . . . . 0.0 111.213 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.522 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.0 m-85 -79.33 -26.15 42.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.037 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.81 151.67 94.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.93 -168.59 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.45 2.1 . . . . 0.0 112.151 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.13 90.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.135 -179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.817 0.341 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ptm -91.32 98.93 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 0.2 OUTLIER -170.9 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.0 mp -98.75 -46.82 12.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.749 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB2' HE21 ' B' ' 336' ' ' GLN . 29.6 tt0 -60.25 -26.04 66.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.725 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.5 tpt -66.86 -59.92 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -58.38 -40.06 81.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.054 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' B' ' 332' ' ' LEU . 65.4 mt -62.94 -40.31 97.27 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.832 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.48 -45.5 92.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.93 96.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.98 -45.55 91.87 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.98 -32.16 73.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.469 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -62.13 -58.63 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.667 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD11 HG23 ' B' ' 308' ' ' ILE . 29.9 mt -59.79 -43.08 94.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.45 -29.5 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.974 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 82.0 mt -74.63 -3.96 34.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 65.29 154.77 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 12.0 m120 60.99 99.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.74 143.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.206 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . 0.453 ' HA ' ' HD3' ' B' ' 301' ' ' PRO . 21.1 mt-30 -77.16 129.1 79.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 300' ' ' GLN . 11.0 Cg_exo -71.16 131.64 19.65 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.606 2.204 . . . . 0.0 112.545 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 38.3 t -75.12 -35.97 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.56 -25.1 62.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.159 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.95 -45.4 85.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.838 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -63.81 -48.89 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.772 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -59.29 -31.16 68.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.164 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.77 75.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.524 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.563 HG23 HD11 ' A' ' 19' ' ' LEU . 51.9 mt -59.88 -40.15 82.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.422 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.57 -39.39 91.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.719 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -55.51 17.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.87 -38.84 68.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -67.67 -33.71 75.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.347 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.83 -52.17 61.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.375 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.79 -35.79 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -68.92 -31.58 70.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -77.59 -42.92 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -67.08 -35.63 80.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.049 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -110.46 30.59 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.203 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.88 -30.18 67.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.823 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -87.18 -18.37 57.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.544 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -112.41 89.11 11.92 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.586 0.231 . . . . 0.0 110.748 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.97 -18.62 27.63 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.388 2.059 . . . . 0.0 112.372 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.43 -37.4 85.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 46.6 mm -72.48 -38.76 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.309 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -67.33 -49.47 63.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.75 -45.85 92.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.64 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.415 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -60.52 -40.62 92.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.489 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -58.01 -65.17 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.507 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.81 -30.03 56.12 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.62 -43.78 95.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.173 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.415 HG13 ' O ' ' B' ' 327' ' ' ALA . 82.6 mt -64.37 -54.23 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.433 ' HB2' HD21 ' A' ' 13' ' ' LEU . 5.4 mp -55.84 -40.9 73.5 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.088 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -61.46 -42.37 98.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.395 . . . . 0.0 110.209 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . 0.464 HG22 ' HG ' ' B' ' 353' ' ' LEU . 22.6 m -65.13 -33.51 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.284 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -63.37 -54.82 30.83 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.328 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.568 HE21 ' HB2' ' A' ' 10' ' ' GLN . 6.4 tp-100 -64.17 -28.37 69.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.729 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.49 -53.27 54.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.754 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -33.93 72.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.49 -38.07 86.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.55 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -70.95 -46.03 63.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.56 -29.87 71.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.293 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -74.18 -40.64 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.683 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -65.13 -38.16 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.492 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -70.02 -50.18 43.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -65.75 -16.68 64.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 100.82 -105.24 2.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.644 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -137.73 12.66 3.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.619 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -99.9 1.96 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.742 0.306 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -84.99 150.94 24.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.6 t -114.14 83.31 7.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.34 112.04 3.14 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.672 2.248 . . . . 0.0 112.493 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -72.73 -25.68 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' B' ' 334' ' ' THR . 4.6 mm? -86.3 112.56 21.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 76.0 p -130.73 176.78 7.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.791 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -57.89 -32.31 67.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.61 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -72.69 -44.2 62.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.4 -51.93 67.39 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.357 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -55.79 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -50.64 -37.09 38.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.37 -64.49 0.87 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.728 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -57.11 -52.07 66.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.207 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.09 -35.38 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.836 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -67.2 -41.97 84.93 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.551 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -60.79 -35.05 75.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.942 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.53 -41.66 88.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.824 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -100.45 96.83 7.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.782 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -96.66 -18.85 19.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.985 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -124.55 0.6 8.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -118.66 80.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.12 -23.41 51.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.179 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.23 -44.9 96.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 80.1 mt -59.67 -47.18 86.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' B' ' 363' ' ' ALA . 87.2 mt -58.67 -41.62 86.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.574 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 50.4 m -59.68 -43.44 94.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.54 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.45 -50.62 73.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.634 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -58.51 -33.12 69.48 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.392 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.78 -34.89 66.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.399 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -58.89 -46.14 88.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 111.047 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.569 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 85.8 m-85 -62.03 -27.23 68.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 70.3 mt -81.79 133.63 51.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.72 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.86 118.86 5.78 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.429 2.086 . . . . 0.0 112.195 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 57.74 20.2 6.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.013 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.208 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.849 0.356 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 34.2 ttp 53.89 82.95 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.064 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -172.96 -93.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.154 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.505 ' H ' ' ND2' ' A' ' 8' ' ' ASN . 2.5 mp -77.58 -38.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -59.49 -35.4 74.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.3 tpp -67.04 -44.33 80.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.64 -47.38 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.41 -36.37 83.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.91 -44.45 96.76 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.58 60.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.422 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.1 -52.64 39.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.406 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -73.15 -32.77 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.32 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.76 -41.03 98.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.816 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.88 -24.98 26.44 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.112 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.06 -55.44 32.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.594 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.721 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . 0.406 HD22 ' N ' ' B' ' 296' ' ' LEU . 3.9 mm? -93.93 130.56 39.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 58.96 99.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -74.79 -12.85 60.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.726 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -74.02 -35.5 64.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -115.95 81.77 10.23 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.96 14.2 2.41 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.628 2.219 . . . . 0.0 112.24 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.1 t -74.52 -32.64 30.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.7 -31.24 68.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -64.58 -58.0 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.788 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . 0.536 HD22 ' N ' ' B' ' 305' ' ' ASN . 0.9 OUTLIER -57.13 -41.87 79.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.767 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -61.05 -38.96 88.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.338 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.28 99.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.688 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 59.4 mt -62.98 -44.79 99.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . 0.53 ' N ' HD22 ' B' ' 309' ' ' ASN . 0.9 OUTLIER -61.98 -40.04 94.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.08 -179.799 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -64.52 -55.46 20.45 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 97.0 t -56.96 -34.34 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.711 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -72.63 -30.93 64.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.625 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.92 -41.18 69.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.411 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.16 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.334 -179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -77.79 -49.18 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.135 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.11 -37.22 71.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.283 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.02 38.83 1.84 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -61.43 -32.71 72.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.597 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -89.66 -0.5 78.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.354 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -134.86 87.18 30.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.531 0.205 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.04 -16.63 22.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.436 2.091 . . . . 0.0 112.207 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -68.11 -38.11 81.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.0 mm -67.71 -41.44 85.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -63.14 -54.44 37.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.548 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.0 -34.26 71.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.525 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -61.34 -50.51 72.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.48 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.519 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 22.2 t80 -56.21 -50.75 70.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.269 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.31 -31.86 69.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -68.88 -44.16 73.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.725 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.76 -53.45 47.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.519 HD11 ' CZ ' ' B' ' 328' ' ' PHE . 16.6 mt -62.85 -33.05 74.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.939 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -52.57 63.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.814 0.34 . . . . 0.0 110.647 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 92.3 m -61.46 -36.69 81.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.69 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.64 -55.08 34.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.08 -37.61 83.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' B' ' 337' ' ' LYS . 5.1 ttpm? -61.81 -46.53 89.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.026 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.461 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 17.5 mm-40 -66.59 -34.45 77.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . 0.569 ' HA ' HE21 ' B' ' 339' ' ' GLN . 0.0 OUTLIER -66.88 -57.75 6.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.255 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -56.44 -45.53 80.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.57 -38.36 90.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.19 -47.47 85.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -64.58 -38.88 92.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.713 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -75.94 -18.19 59.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -78.86 -39.57 34.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 146.7 -60.9 0.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.642 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -176.07 154.91 18.18 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' B' ' 350' ' ' THR . 16.1 m120 58.98 -89.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.559 0.218 . . . . 0.0 111.054 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.9 t80 65.31 -5.82 0.42 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.436 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . 0.461 ' H ' ' C ' ' B' ' 348' ' ' ASN . 2.7 t 36.08 79.01 0.32 Allowed Pre-proline 0 N--CA 1.466 0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.762 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.461 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 51.4 Cg_exo -54.95 175.08 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.66 2.24 . . . . 0.0 112.517 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -90.84 -39.8 12.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.225 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.21 126.82 51.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 33.8 p -107.22 -170.68 1.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.0 -51.45 66.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.003 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -61.74 -47.66 84.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.198 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.91 -46.39 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.497 ' O ' HG23 ' B' ' 362' ' ' VAL . 26.2 t -59.18 -54.99 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.845 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -49.95 -39.22 39.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.614 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.59 18.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -57.57 -52.0 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 358' ' ' VAL . 45.5 t -56.06 -32.11 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.666 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.433 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.01 -38.14 72.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.719 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -63.76 -42.97 97.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.581 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.32 -46.81 84.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -93.56 96.42 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -94.76 143.07 26.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.777 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 63.53 8.87 3.84 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -124.57 80.55 1.86 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.915 0.388 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.65 -20.09 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -50.78 72.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.412 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.8 mp -55.23 -55.49 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.202 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' B' ' 363' ' ' ALA . 2.9 mm? -58.0 -34.29 69.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 42.3 t -62.57 -54.75 34.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -59.15 -36.48 75.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -71.49 -25.28 62.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.189 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -81.75 -28.5 42.37 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.409 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' B' ' 374' ' ' SER . 18.7 mm-40 -56.68 -29.76 62.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.826 0.346 . . . . 0.0 110.973 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 90.4 m-85 -77.8 -30.3 51.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.536 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.47 HD21 HD11 ' A' ' 9' ' ' ILE . 78.0 mt -86.06 150.96 53.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -66.54 -159.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.603 2.202 . . . . 0.0 112.22 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.33 -22.41 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.046 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.726 0.298 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -157.45 -25.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.0 t-20 -78.01 -77.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.731 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.5 mp -63.79 -27.0 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.509 -178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.41 -64.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.0 tpp -57.55 -35.38 70.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.724 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -55.76 30.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.73 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.4 -43.42 88.57 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.42 -41.59 69.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.552 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -65.54 -45.31 83.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.934 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.57 -52.01 67.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -63.35 -31.31 72.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.5 -51.03 69.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD11 HG23 ' B' ' 308' ' ' ILE . 30.5 mt -70.86 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.32 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -52.64 -36.28 56.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.299 -0.857 . . . . 0.0 110.903 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 71.1 mt -79.63 175.09 10.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -60.12 109.94 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -87.93 106.71 18.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -138.11 -73.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -138.21 150.02 65.46 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.64 16.6 1.4 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.575 2.183 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 45.8 t -64.16 -39.6 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -58.42 -50.09 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.805 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -58.42 -38.43 77.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.41 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -63.18 -38.84 92.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.655 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -67.33 -37.67 83.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.548 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . 0.449 ' O ' HG23 ' B' ' 311' ' ' VAL . . . -61.7 -49.63 75.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.705 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.59 HG23 HD11 ' A' ' 19' ' ' LEU . 44.2 mt -65.94 -48.27 82.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.437 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.46 -32.04 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -71.17 -54.66 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 307' ' ' ALA . 57.1 t -59.94 -33.86 54.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -75.17 -33.73 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -63.54 -46.05 87.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.617 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 66.7 mt -73.01 -39.9 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.004 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.45 -34.12 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -81.43 -40.12 23.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.28 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -58.36 -58.34 8.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -91.15 41.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.97 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.86 -24.43 67.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -80.7 -44.64 8.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -104.43 94.92 7.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 120.423 0.154 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.9 -10.61 28.87 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.362 2.041 . . . . 0.0 112.412 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -67.45 -38.87 85.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 33.6 mm -65.94 -54.74 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -58.65 -46.1 87.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -60.7 -37.16 80.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -67.43 -37.3 82.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -62.96 -55.87 22.04 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.524 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 79.4 mt -59.3 -36.13 75.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.419 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.15 -48.8 80.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.834 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.96 -47.61 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . . . . . . . . . 69.1 mt -59.62 -39.57 84.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -61.49 -43.34 99.05 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 88.5 m -64.9 -33.75 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.431 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -62.89 -55.27 27.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.821 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -36.08 82.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -60.51 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -63.03 -44.15 96.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.75 -38.6 88.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.832 0.349 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -65.84 -54.78 22.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.905 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . 0.572 HD22 ' N ' ' B' ' 341' ' ' ASN . 0.8 OUTLIER -59.56 -29.92 68.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.26 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -69.11 -54.69 13.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.247 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -72.14 -16.12 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -89.32 -27.55 20.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.69 74.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.004 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 70.34 104.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.588 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.87 18.17 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.558 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -86.37 137.03 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.802 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -162.59 128.74 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.656 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.8 t -106.5 104.58 51.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.275 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.31 -172.26 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.749 2.3 . . . . 0.0 111.976 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -121.34 -25.45 5.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.482 HD11 HG23 ' B' ' 358' ' ' VAL . 0.3 OUTLIER -114.61 122.0 45.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.508 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . 0.408 ' N ' HD13 ' B' ' 353' ' ' LEU . 25.9 p -140.95 -170.77 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.21 -36.04 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.808 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -64.03 -52.05 61.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.164 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.68 -51.71 64.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.179 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.576 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.62 -58.23 7.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.444 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.421 ' N ' HG12 ' B' ' 358' ' ' VAL . 4.3 t80 -46.75 -50.75 17.61 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.596 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.16 -64.98 0.76 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -63.59 -53.19 55.48 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.576 HG21 HG13 ' B' ' 358' ' ' VAL . 92.1 t -55.37 -35.48 37.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.309 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.413 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.49 -39.83 70.6 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.947 0.403 . . . . 0.0 110.166 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -57.25 -37.82 72.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.45 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 94.9 mt -55.32 -36.77 66.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.805 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -104.11 98.2 8.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -108.19 -10.45 15.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -115.63 -31.95 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -106.2 91.45 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -77.06 -24.14 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.045 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -55.85 -32.46 63.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.12 -35.32 79.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' B' ' 363' ' ' ALA . 12.6 mt -73.98 -42.98 59.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.605 179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 95.1 p -57.49 -45.14 85.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.14 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' B' ' 378' ' ' GLN . 21.7 tt0 -69.41 -38.4 77.91 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.07 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.29 -22.34 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.307 179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.88 -45.08 6.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.992 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' B' ' 375' ' ' GLU . 11.5 pt20 -58.79 -33.46 70.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.697 0.249 . . . . 0.0 111.069 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.517 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 18.6 m-85 -62.62 -32.25 73.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.856 0.36 . . . . 0.0 110.63 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 79.6 mt -74.04 142.61 79.58 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.54 -170.01 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.442 2.094 . . . . 0.0 112.056 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -72.14 -28.08 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.716 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.2 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.943 0.401 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 49.6 ttp -80.39 1.37 29.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.755 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 2.1 t-20 -99.75 -74.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.595 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.6 mm -55.75 -59.01 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.092 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -49.83 -39.81 40.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.63 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 54.2 ttm -65.23 -57.52 8.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.53 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.19 -53.1 60.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.305 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mp -56.68 -38.98 72.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.88 -47.86 83.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.36 -26.0 65.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.718 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.57 -47.72 68.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.654 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -76.05 -24.28 55.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.438 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -77.39 -32.45 54.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.3 tp -88.06 -44.65 10.8 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.545 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -61.41 -35.55 77.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.793 0.33 . . . . 0.0 110.639 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.863 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.8 mt -104.88 162.77 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.746 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -89.56 115.56 27.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -113.76 169.02 9.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.915 0.388 . . . . 0.0 111.17 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.64 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.693 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -120.42 145.64 41.05 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.59 4.61 6.88 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.558 2.172 . . . . 0.0 112.499 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.0 t -67.16 -35.13 73.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.96 -44.67 78.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -59.85 -45.94 90.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.559 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.22 -38.45 79.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -67.96 -33.96 75.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -62.98 -50.53 70.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.834 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.5 -45.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.415 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.09 -37.35 79.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -66.31 -55.48 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 89.1 t -57.83 -39.43 71.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -69.13 -34.24 74.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.772 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 56.7 mt -69.74 -42.8 80.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.3 -33.39 75.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -77.93 -36.6 49.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -67.23 -59.45 3.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.2 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -90.59 40.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -54.57 45.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.502 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -63.34 -15.86 57.43 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.901 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -121.3 85.98 42.86 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 120.568 0.223 . . . . 0.0 110.98 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.23 -5.09 16.44 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.545 2.164 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.12 -40.71 67.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.6 mm -69.74 -44.78 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.263 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -64.46 -46.66 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.961 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.89 -43.07 99.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.707 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.96 94.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.883 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' B' ' 332' ' ' LEU . 29.5 t80 -60.68 -57.87 10.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 95.6 mt -58.7 -34.69 71.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -64.2 -55.21 23.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.982 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 93.8 mt -54.48 -51.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 328' ' ' PHE . 6.7 mt -61.17 -34.07 74.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.642 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.6 t-80 -60.29 -44.55 95.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 96.8 m -63.84 -38.76 92.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.157 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.48 -40.52 87.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.222 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -66.52 -44.9 81.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -58.99 -47.08 86.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.52 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.476 ' HG3' ' HB3' ' B' ' 352' ' ' ALA . 16.0 mm-40 -68.51 -27.32 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.06 -54.99 12.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -62.64 -35.95 81.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -63.36 -48.56 77.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.481 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.15 82.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.127 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -63.39 -49.5 73.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -66.42 -41.39 89.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -95.58 33.01 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -55.07 98.49 0.05 OUTLIER Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 172.39 92.25 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.555 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 60.38 15.14 5.22 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.731 0.3 . . . . 0.0 111.328 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -106.1 145.75 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.809 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 5.6 t -131.03 139.28 35.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 18.3 Cg_exo -65.97 154.89 72.14 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.366 2.044 . . . . 0.0 112.071 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . 0.476 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . . . -65.9 -54.13 30.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.35 139.47 33.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.191 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . 0.559 ' O ' HG23 ' B' ' 358' ' ' VAL . 60.7 p -120.49 159.73 24.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.68 -47.82 15.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.275 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.15 -39.38 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.996 0.427 . . . . 0.0 110.412 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.24 -41.82 96.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.812 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 354' ' ' THR . 2.2 t -61.52 -53.39 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-O 120.901 0.381 . . . . 0.0 110.224 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.91 -36.31 67.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.852 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -63.01 -63.8 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.561 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -59.0 -49.88 76.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.226 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . . . . . . . . . 55.5 t -55.27 -36.72 41.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.23 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.921 0.391 . . . . 0.0 110.429 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -62.54 -37.44 86.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.428 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 75.4 mt -69.35 -31.32 69.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.834 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.505 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 40.0 m-85 -112.78 95.42 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -98.33 -19.75 17.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -113.75 -1.43 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.038 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 84.5 mm-40 -115.02 81.49 1.58 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . 0.482 ' H ' ' CD ' ' B' ' 370' ' ' GLU . 0.0 OUTLIER -77.06 -28.77 54.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.61 -51.3 69.06 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.763 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.1 mp -57.86 -42.92 85.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.744 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 20.7 tp -58.9 -48.8 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.565 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 66.9 m -58.0 -39.19 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.573 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -59.74 -50.99 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -57.97 -37.74 74.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -66.84 -35.3 89.42 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -60.12 -47.12 87.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.715 0.293 . . . . 0.0 111.247 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.586 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 76.8 m-85 -58.65 -27.62 64.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.11 148.32 63.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -74.37 -165.15 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.514 2.143 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -88.95 94.45 9.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.092 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.825 0.345 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -153.8 15.07 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.638 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.8 t-20 -84.0 -78.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' CD2' ' B' ' 335' ' ' TYR . 50.6 mt -79.58 -30.87 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.408 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.48 -40.93 98.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.895 0.378 . . . . 0.0 110.82 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.9 tpp -68.61 -38.44 80.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -68.08 -36.18 79.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 HD21 ' HB2' ' B' ' 332' ' ' LEU . 84.7 mt -71.27 -39.83 71.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.783 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.21 -47.64 78.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.942 0.401 . . . . 0.0 110.556 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' HD13 ' B' ' 308' ' ' ILE . . . -65.44 -42.83 91.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.47 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -70.31 -34.91 73.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.36 -58.68 7.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.7 -41.82 98.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.153 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.46 -47.3 79.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.793 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . 0.473 HD12 ' N ' ' B' ' 296' ' ' LEU . 5.6 mp -83.09 167.46 17.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -69.16 168.03 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -112.46 88.23 2.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -139.34 5.25 2.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.571 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' B' ' 300' ' ' GLN . 1.1 mp0 57.09 70.49 1.36 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.908 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.21 177.35 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.686 2.258 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 59.6 t -69.31 -53.34 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.05 -33.29 57.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . 0.433 ' O ' HG12 ' B' ' 308' ' ' ILE . 79.4 t80 -59.79 -62.52 1.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.494 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.74 -36.56 57.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.785 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -58.82 -46.77 86.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.362 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.57 -31.12 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.59 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.482 HD13 ' HB1' ' A' ' 15' ' ' ALA . 13.6 mm -62.71 -53.31 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.8 -31.11 69.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.485 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -68.35 -55.74 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 0.0 111.036 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.95 -39.59 84.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -65.39 -39.91 92.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -62.69 -48.79 77.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 59.4 mt -65.36 -36.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -66.85 -34.3 77.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -78.29 -45.72 22.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.27 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -64.19 -36.12 83.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -106.43 24.87 11.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.022 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -60.07 -29.72 68.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.773 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -72.87 -27.14 69.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.349 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -118.36 91.39 40.9 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.449 0.166 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.14 -22.54 54.1 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.408 2.072 . . . . 0.0 112.26 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.39 -38.98 93.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 30.1 mm -64.84 -49.22 81.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -60.47 -49.92 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.788 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -62.66 -28.46 69.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.458 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -66.19 -49.27 67.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.307 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -58.72 -50.66 73.08 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.316 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 94.7 mt -55.8 -38.83 70.48 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.192 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -60.83 -46.26 91.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.733 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.31 -46.67 85.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.427 ' HB2' HD21 ' A' ' 13' ' ' LEU . 19.0 mt -66.44 -36.15 82.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.338 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -62.98 -46.0 89.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.77 0.319 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 42.4 m -64.67 -44.92 88.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 9' ' ' ILE . 68.0 t80 -56.41 -53.39 58.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.917 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.68 -38.3 84.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -58.96 -47.83 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 111.192 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' B' ' 351' ' ' PRO . 24.9 mm-40 -64.46 -45.32 87.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.364 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.42 -47.57 85.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.393 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -58.38 -54.71 43.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.144 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -59.01 -31.13 68.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.036 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.73 -43.47 79.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.37 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.07 -29.9 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.38 -24.4 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.997 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -64.29 -25.9 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 67.38 90.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.366 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 116.63 -139.07 14.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.34 139.35 30.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -148.8 -20.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.7 t 36.37 82.01 0.23 Allowed Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.971 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.629 ' HB3' ' HB3' ' B' ' 338' ' ' GLU . 52.9 Cg_exo -53.5 133.12 52.08 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.563 2.175 . . . . 0.0 112.433 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -60.65 -22.86 64.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 8.3 tt -110.35 126.5 54.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 59.2 p -113.44 -178.22 3.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.21 -41.5 97.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -58.46 -38.19 77.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.687 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.56 -44.9 89.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.436 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 64.9 t -62.97 -56.65 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.746 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.63 -38.94 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.5 -58.39 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.611 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -51.52 66.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.642 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 20.5 t -58.48 -41.17 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.34 72.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -69.25 -47.51 64.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 98.3 mt -60.84 -42.92 98.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -101.57 89.33 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.764 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -97.19 -17.02 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.7 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -112.88 -10.75 13.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -118.38 77.33 1.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -76.75 -25.35 53.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.28 -45.13 88.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.43 -46.65 89.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.692 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . . . . . . . . . 19.3 tp -56.37 -45.16 80.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.6 t -59.92 -44.38 94.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.36 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.66 -32.2 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.174 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -77.09 -27.36 54.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.678 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -76.86 -36.07 37.72 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.898 -0.667 . . . . 0.0 113.387 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -58.75 -31.38 68.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.795 0.297 . . . . 0.0 111.335 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.638 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 48.6 m-85 -68.27 -30.93 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.68 118.67 36.85 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.46 19.96 0.9 Allowed 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.522 2.148 . . . . 0.0 112.516 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 24.4 t70 61.88 7.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.225 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.494 HH21 ' HG2' ' B' ' 381' ' ' PRO . 79.5 mtp180 . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 37.5 ttp 57.36 50.03 12.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.41 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.525 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -173.23 150.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.615 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 41.3 mm 64.45 -76.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.794 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HA ' HD12 ' A' ' 13' ' ' LEU . 61.5 tt0 -47.66 -31.45 4.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.638 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.403 ' HG2' ' HB2' ' B' ' 307' ' ' ALA . 51.6 ttm -61.21 -59.03 5.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.934 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.26 -32.98 71.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.791 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD13 HE21 ' B' ' 336' ' ' GLN . 54.1 mt -63.37 -45.54 90.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.688 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.23 -45.32 92.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 -52.06 59.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -64.46 -25.55 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -66.21 -58.22 5.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.554 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD11 HG23 ' B' ' 308' ' ' ILE . 35.2 mt -61.45 -52.36 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.831 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -51.23 -57.9 7.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.845 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.838 0.352 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 62.8 tp -143.05 -34.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.785 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -73.62 133.42 43.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.726 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -113.4 -69.16 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -149.98 -58.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -110.55 140.63 22.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.771 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.43 15.59 1.95 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.768 2.312 . . . . 0.0 112.398 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.56 -27.81 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.08 -45.91 79.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.906 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -64.39 -46.06 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.546 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -59.93 -40.6 89.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.666 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -66.0 -37.19 85.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.453 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 11' ' ' MET . . . -61.94 -47.77 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.678 179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 19' ' ' LEU . 67.2 mt -64.83 -36.66 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.61 -45.65 93.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.145 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -66.99 -55.46 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.397 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.21 -40.99 68.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.16 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -67.14 -36.52 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.42 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.73 -43.56 97.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.633 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 80.0 mt -68.54 -42.89 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.342 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.13 -52.41 10.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.478 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -59.21 -50.43 74.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.207 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -89.8 36.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.349 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -65.08 -37.52 87.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.003 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.45 96.06 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.63 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.59 96.22 22.47 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.406 0.146 . . . . 0.0 110.815 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.33 -9.94 24.94 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.351 2.034 . . . . 0.0 112.304 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -67.44 -41.04 85.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.77 -47.26 94.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -63.5 -40.77 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.87 -41.12 97.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.15 88.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.898 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -55.25 -58.24 8.51 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.339 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.4 -33.73 66.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.25 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.26 -35.4 80.23 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.147 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 92.1 mt -66.67 -56.66 13.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.117 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' LEU . 5.8 mp -58.15 -33.63 69.4 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.871 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -64.11 -49.23 73.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.584 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 37.5 m -59.29 -36.69 76.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.195 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -65.9 -37.63 86.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.093 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.519 HE21 HD13 ' A' ' 13' ' ' LEU . 8.5 tt0 -64.04 -43.11 96.54 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.615 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.93 -51.2 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -64.75 -25.11 67.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.42 -61.69 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -58.18 -42.2 85.55 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -59.32 -47.17 86.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.72 88.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.294 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -67.1 -36.45 81.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -81.76 -18.89 42.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.799 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -117.99 27.38 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -59.21 100.94 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.63 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -175.66 -81.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -121.65 -6.5 9.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -69.58 140.56 53.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' B' ' 351' ' ' PRO . 3.6 t -116.02 128.93 25.59 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.013 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 350' ' ' THR . 24.2 Cg_exo -63.86 146.12 91.27 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.278 1.985 . . . . 0.0 112.246 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -92.39 -1.73 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 54.6 tp -145.77 108.47 4.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.705 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 62.1 p -102.98 -176.7 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.333 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.32 -48.65 77.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -58.36 -42.17 86.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.91 -49.2 77.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.009 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.469 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.5 t -60.1 -58.03 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.748 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -45.94 -39.83 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -65.24 -54.83 23.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.279 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -57.49 -52.65 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.779 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 358' ' ' VAL . 24.9 t -56.5 -34.62 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.248 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.465 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.21 -35.89 81.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.381 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -65.28 -50.68 64.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.778 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.93 -43.7 81.75 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -105.59 96.38 6.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -106.51 -16.74 14.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -101.44 -29.85 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -112.77 86.24 2.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.001 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.25 -20.81 54.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -56.15 -46.8 79.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.729 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -44.65 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.774 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' B' ' 363' ' ' ALA . 18.8 tp -59.11 -42.63 91.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.958 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.1 t -60.69 -49.66 76.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.539 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -56.65 -37.12 70.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.562 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.49 -33.86 71.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.625 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -70.42 -33.63 68.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.518 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -57.37 -29.55 64.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.664 0.269 . . . . 0.0 110.993 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -67.18 -48.56 67.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.872 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' B' ' 381' ' ' PRO . 82.3 mt -59.34 147.3 76.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 0.494 ' HG2' HH21 ' A' ' 6' ' ' ARG . 32.4 Cg_exo -62.07 -170.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.545 2.163 . . . . 0.0 112.374 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -68.79 91.08 0.44 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.108 179.84 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.618 0.247 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.5 ptm -125.5 -158.02 0.82 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.312 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.506 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 3.0 t-20 64.2 -84.59 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.225 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.6 mm -91.42 -40.5 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.02 -23.46 66.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.3 tpp -66.58 -55.5 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -64.72 -37.88 89.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 332' ' ' LEU . 35.7 mt -62.32 -44.12 97.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -64.16 -42.67 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.508 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -28.94 69.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.662 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.64 -40.28 63.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -77.29 -22.17 52.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.544 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -82.59 -34.72 27.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.6 tp -83.12 -32.49 26.67 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.117 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -73.74 -32.94 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.637 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.906 -179.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 42.6 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.774 0.321 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 45.0 tp -130.51 97.51 4.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 59.06 -176.15 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -117.29 150.43 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 60.69 179.67 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 111.3 8.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -67.0 150.75 82.78 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.459 2.106 . . . . 0.0 112.486 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 48.1 t -70.23 -45.81 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.599 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -27.97 63.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -67.49 -41.82 83.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.286 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -65.24 -46.76 79.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -65.4 -29.34 70.04 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.471 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.05 -52.92 53.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.416 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.38 -43.06 93.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.46 -44.01 89.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -61.7 -50.9 70.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.48 -38.81 58.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -70.06 -31.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.388 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.75 -51.17 66.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.414 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.8 mt -64.57 -42.03 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.962 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.63 -32.58 73.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -80.59 -42.3 22.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.328 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -66.22 -17.87 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.981 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.69 32.04 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -58.09 -35.35 71.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.785 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.6 -30.39 62.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.37 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -114.4 94.67 36.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.503 0.192 . . . . 0.0 110.803 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -19.71 34.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.411 2.074 . . . . 0.0 112.272 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 40.1 mm -65.62 -39.23 84.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.185 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -62.86 -53.19 57.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -63.25 -28.01 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.54 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.421 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -64.68 -58.04 7.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.693 179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -54.86 -47.59 74.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.247 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.12 -35.78 74.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.083 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.25 -35.01 79.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.134 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 327' ' ' ALA . 63.9 mt -64.88 -51.24 69.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.311 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 13' ' ' LEU . 14.1 mt -63.46 -39.03 93.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.079 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -61.38 -50.26 73.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.805 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 44.1 m -60.66 -35.66 76.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.482 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -52.25 66.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.483 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -42.13 94.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -56.42 -52.08 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.464 ' HG3' ' HB3' ' B' ' 353' ' ' LEU . 19.2 mm-40 -58.08 -43.69 87.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -65.21 -29.85 70.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.822 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -70.28 -47.65 60.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.05 -50.61 72.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.746 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.73 89.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.246 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -69.48 -27.86 65.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -79.95 -27.81 39.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.707 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -72.89 -15.91 61.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.029 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 87.31 -9.72 71.91 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.708 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 129.38 -176.03 18.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.38 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.7 16.23 6.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -100.42 149.34 23.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 1.4 t -120.55 91.0 46.49 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.289 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.41 164.59 10.69 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.533 2.155 . . . . 0.0 112.165 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -96.39 -25.31 15.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.464 ' HB3' ' HG3' ' B' ' 338' ' ' GLU . 8.9 tt -118.85 137.35 53.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -136.37 -169.79 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.75 -38.25 84.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.897 0.379 . . . . 0.0 110.786 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -61.39 -51.4 68.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.716 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.12 -38.51 68.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.669 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.475 ' O ' HG23 ' B' ' 362' ' ' VAL . 45.4 t -61.78 -57.84 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.723 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -48.61 -39.1 22.77 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.43 -59.19 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.389 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -56.73 -52.51 64.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.351 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 358' ' ' VAL . 40.9 t -55.45 -34.08 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.563 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.36 -35.83 73.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.518 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -65.36 -36.3 83.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.197 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.65 -37.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.578 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -113.12 94.9 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.66 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -95.12 -18.26 21.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.014 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -115.49 -30.96 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.952 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.615 ' HB3' HD13 ' B' ' 372' ' ' LEU . 16.2 mm100 -84.56 83.71 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.33 -31.6 54.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -58.71 -35.97 73.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' B' ' 369' ' ' GLN . 10.5 mp -61.75 -48.83 78.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.625 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' B' ' 363' ' ' ALA . 11.5 mt -61.76 -37.04 82.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.12 -54.09 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.487 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.42 -37.27 77.61 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.515 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -71.38 -23.06 61.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.465 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -83.34 -31.01 29.02 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.415 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -56.11 -28.37 57.53 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.674 0.273 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.506 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 89.5 m-85 -83.82 -34.16 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.723 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.443 HD23 HD21 ' A' ' 8' ' ' ASN . 97.1 mt -65.68 152.31 93.07 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.841 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.76 -166.54 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.479 2.119 . . . . 0.0 112.115 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.55 -1.18 29.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.131 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.539 HH11 HE22 ' B' ' 339' ' ' GLN . 39.4 ttp180 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.405 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 3.2 ppp? -128.58 -157.05 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.774 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.663 HD22 ' HB3' ' B' ' 379' ' ' PHE . 1.9 t-20 66.56 -83.24 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.408 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -87.61 -27.68 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.251 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.71 -29.89 70.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.901 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.52 -47.92 62.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -63.4 -43.15 98.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' B' ' 332' ' ' LEU . 76.0 mt -62.95 -49.39 74.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.062 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.95 -37.58 79.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.91 -46.24 82.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.01 78.65 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.251 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -66.83 -26.93 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -66.67 -58.47 5.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.761 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD11 HG23 ' B' ' 308' ' ' ILE . 15.9 mt -65.08 -35.34 80.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.19 -61.96 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.984 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.87 -179.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.782 0.325 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 78.6 mt -124.5 14.27 8.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -74.67 -11.97 60.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.07 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -101.81 -174.42 2.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -102.4 100.63 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -126.5 95.49 38.08 Favored Pre-proline 0 N--CA 1.453 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.16 11.85 2.69 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.567 2.178 . . . . 0.0 112.472 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 53.7 t -74.84 -70.15 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -59.01 -35.0 72.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -62.96 -40.47 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.294 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.56 -48.96 73.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.523 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -60.59 -32.06 71.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.599 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.53 -54.66 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.633 HG23 HD11 ' A' ' 19' ' ' LEU . 41.6 mt -60.17 -34.45 57.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -64.99 -43.9 91.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.973 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.03 -54.44 34.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.291 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.15 -49.31 80.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.53 -31.24 71.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.673 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.93 -50.88 66.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.742 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . 0.474 HG12 ' HG ' ' B' ' 372' ' ' LEU . 82.0 mt -67.13 -34.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -69.32 -31.5 70.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.074 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -79.15 -46.91 17.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -65.1 -53.84 39.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -87.99 28.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -57.99 -29.57 65.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -73.8 -38.6 49.5 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.373 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -106.01 94.47 9.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.362 0.125 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.82 -19.0 31.62 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.239 1.959 . . . . 0.0 112.42 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -61.84 -40.76 96.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.53 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -63.97 -54.71 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -60.95 -26.44 67.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.701 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.34 38.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.716 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -57.93 -49.26 77.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.26 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.275 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.23 -36.87 85.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.548 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.63 -49.91 74.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.447 ' HB2' HD21 ' A' ' 13' ' ' LEU . 23.4 mt -61.64 -43.42 98.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.073 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -59.05 -48.17 82.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.756 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 57.9 m -60.22 -40.08 88.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.473 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -65.43 -32.8 74.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . 0.523 ' HG3' HH22 ' A' ' 6' ' ' ARG . 8.6 tt0 -72.1 -45.78 59.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.117 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -63.58 -44.3 94.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.595 ' HG3' HD23 ' B' ' 353' ' ' LEU . 26.2 mm-40 -67.45 -38.24 84.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . 0.539 HE22 HH11 ' A' ' 6' ' ' ARG . 22.3 tt0 -64.07 -52.79 57.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.851 0.358 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.34 -39.96 84.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.657 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -58.82 -53.38 59.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.581 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -60.41 -32.85 71.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.504 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.29 -45.24 77.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.097 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -69.98 -39.39 75.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -90.89 23.11 3.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.51 99.85 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.61 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -179.28 -74.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -123.69 -0.73 8.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -85.56 140.47 30.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.753 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -111.9 129.56 24.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.11 169.05 15.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.381 2.054 . . . . 0.0 112.187 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.32 -40.91 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' B' ' 338' ' ' GLU . 3.9 mm? -93.36 109.51 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 71.1 p -113.66 175.76 5.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.171 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.85 -43.14 99.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.011 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.15 -47.28 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.189 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . 0.413 ' OE2' HD13 ' B' ' 353' ' ' LEU . 33.1 tt0 -55.83 -41.89 74.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' ' 362' ' ' VAL . 53.3 t -64.1 -51.92 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.489 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -50.55 -38.14 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.642 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -67.31 -54.91 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.71 -51.29 69.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 358' ' ' VAL . 41.1 t -57.75 -36.51 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.281 179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.42 ' HA ' HD22 ' B' ' 373' ' ' LEU . . . -66.04 -36.85 84.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.613 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.5 -48.61 74.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 97.7 mt -60.77 -50.06 74.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.568 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.12 90.34 6.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.624 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 367' ' ' LYS . 0.1 OUTLIER -108.61 -17.69 13.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.786 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -99.18 -11.55 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.988 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -140.82 91.05 2.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.274 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -77.11 -20.02 56.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.693 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -52.49 -48.44 65.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.308 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . 0.474 ' HG ' HG12 ' B' ' 314' ' ' ILE . 3.6 mm? -61.28 -42.48 98.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' B' ' 363' ' ' ALA . 25.1 tp -59.37 -44.94 92.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.703 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 46.0 t -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.513 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' B' ' 378' ' ' GLN . 16.4 mm-40 -63.63 -27.14 69.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -76.82 -30.94 56.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.478 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -78.58 -32.76 40.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.776 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' B' ' 375' ' ' GLU . 0.0 OUTLIER -60.16 -26.92 66.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.66 0.267 . . . . 0.0 110.79 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.663 ' HB3' HD22 ' A' ' 8' ' ' ASN . 41.7 m-85 -81.77 -32.37 31.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . 0.427 HD23 ' OD1' ' A' ' 8' ' ' ASN . 93.7 mt -58.42 146.01 73.68 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.771 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 380' ' ' LEU . 36.7 Cg_exo -61.08 -173.99 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.457 2.104 . . . . 0.0 112.279 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -61.29 -27.33 68.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.22 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.9 ptm -130.25 16.11 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.501 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 7.7 m120 -112.1 -62.64 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.051 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.6 mm -92.81 -42.56 13.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -58.3 -36.71 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.095 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' B' ' 303' ' ' GLU . 51.8 ttm -60.98 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.048 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.26 -38.76 77.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.531 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' B' ' 332' ' ' LEU . 87.8 mt -63.18 -35.63 80.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.523 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.9 -46.04 76.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' ' HA ' ' B' ' 308' ' ' ILE . . . -57.89 -51.7 68.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.73 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -31.08 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.549 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -70.33 -59.54 2.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD11 HG23 ' B' ' 308' ' ' ILE . 38.4 mt -55.82 -49.36 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.1 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.93 -44.69 94.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.771 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 82.1 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 40.5 tp -148.36 -19.72 0.33 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.698 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -84.8 3.36 38.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.77 167.95 12.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -79.6 153.66 29.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.743 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 55.48 82.81 0.24 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.8 93.78 1.01 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.39 2.06 . . . . 0.0 112.522 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 42.4 t -75.64 -35.52 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.704 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . 0.404 ' HB3' ' SD ' ' A' ' 11' ' ' MET . 2.3 mp0 -56.64 -36.19 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.028 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.82 -46.01 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.459 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 52.7 t-20 -61.58 -42.41 98.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.278 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -65.37 -30.1 70.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.469 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -67.17 -53.25 32.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.581 HG23 HD11 ' A' ' 19' ' ' LEU . 53.0 mt -63.72 -35.37 72.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.6 -49.17 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -59.38 -54.06 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.02 -38.45 60.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.766 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -66.29 -34.5 78.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.579 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.82 -48.97 72.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.661 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.42 -37.14 79.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -68.97 -32.24 71.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -78.85 -46.98 17.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.29 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -63.31 -39.69 95.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.194 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -100.38 29.6 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.393 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -59.96 -27.86 67.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.574 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -69.18 -47.78 50.71 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.286 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -103.46 97.94 11.44 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 120.41 0.148 . . . . 0.0 110.799 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.26 -24.15 38.0 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.508 2.139 . . . . 0.0 112.217 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -60.89 -28.17 68.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.94 -44.72 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -65.04 -47.67 76.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.696 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -62.84 -37.21 85.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . . . . . . . . . . . -65.23 -47.59 76.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 15.1 t80 -57.65 -53.19 60.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.702 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' B' ' 333' ' ' HIS . 93.6 mt -60.73 -35.65 76.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.1 -42.77 96.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.2 -47.97 87.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.007 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.477 ' HB2' HD21 ' A' ' 13' ' ' LEU . 35.3 mt -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' B' ' 329' ' ' LEU . 2.7 t-80 -63.08 -50.54 70.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 82.9 m -66.21 -30.91 71.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.545 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.45 -57.16 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.701 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.225 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.3 -53.33 56.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.88 0.371 . . . . 0.0 111.223 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.96 -35.91 77.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . 0.537 HE22 ' HD2' ' B' ' 343' ' ' LYS . 22.6 tm0? -60.46 -46.22 90.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.685 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -66.92 -50.04 63.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.785 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -61.24 -22.9 65.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -77.01 -52.78 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . 0.537 ' HD2' HE22 ' B' ' 339' ' ' GLN . 0.1 OUTLIER -67.68 -19.18 65.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.767 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -86.4 -40.77 15.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.957 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.54 67.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 122.26 -111.23 1.75 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.63 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -108.66 -45.98 1.01 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.612 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -93.57 136.78 33.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -163.63 -20.73 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.5 t 35.68 78.59 0.33 Allowed Pre-proline 0 N--CA 1.466 0.372 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.879 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.86 -167.07 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -119.33 -66.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.401 HD12 ' N ' ' B' ' 353' ' ' LEU . 6.8 mp -82.6 141.45 32.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 75.6 p -139.12 -172.96 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.12 -39.74 87.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.05 -43.43 87.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.651 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -55.76 -50.34 70.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.501 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.632 HG13 HG21 ' B' ' 362' ' ' VAL . 2.0 t -58.78 -58.51 6.47 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.353 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.418 ' N ' HG12 ' B' ' 358' ' ' VAL . 65.7 t80 -45.68 -52.46 10.79 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.541 -179.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.96 -65.45 0.69 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -63.98 -52.97 57.14 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.632 HG21 HG13 ' B' ' 358' ' ' VAL . 61.6 t -55.2 -33.42 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.282 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.596 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -70.79 -44.9 65.69 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.64 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -57.75 -36.15 71.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.547 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.5 -25.52 66.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.721 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' B' ' 369' ' ' GLN . 29.0 m-85 -99.92 93.5 5.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 21.9 mmtp -88.53 127.72 35.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 61.0 12.55 4.0 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' B' ' 366' ' ' PHE . 85.3 mm-40 -109.23 67.65 0.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.509 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.56 -30.12 66.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.98 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -60.98 -47.14 87.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.693 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.54 -47.61 84.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' B' ' 363' ' ' ALA . 11.8 mt -59.61 -37.24 78.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 67.5 m -62.67 -47.08 85.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.135 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -61.18 -41.37 96.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.65 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -69.27 -28.5 66.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.624 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.11 -33.53 54.24 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.357 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -55.94 -37.67 69.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.736 0.303 . . . . 0.0 111.043 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.501 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 91.6 m-85 -63.07 -62.11 1.93 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.766 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 83.2 mt -52.05 144.05 22.12 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.793 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.84 150.11 49.02 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.449 2.1 . . . . 0.0 112.813 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.09 -80.97 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.31 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.266 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.733 0.301 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.0 ptm -76.16 95.69 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 379' ' ' PHE . 1.7 t-20 -170.54 -89.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 mt -98.19 -37.4 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -57.98 -28.15 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.116 0.484 . . . . 0.0 109.858 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.9 mmt -69.68 -51.29 35.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.816 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -60.15 -35.87 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.845 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HB2' ' B' ' 332' ' ' LEU . 80.1 mt -66.38 -54.63 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -56.99 -33.28 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.603 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.38 -46.59 72.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.897 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.02 93.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.6 -35.51 77.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.622 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -64.07 -59.54 4.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.903 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD11 HG23 ' B' ' 308' ' ' ILE . 29.3 mt -57.19 -43.52 82.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.101 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -56.07 -46.23 79.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.925 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.26 -60.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -113.92 -174.9 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.96 1.46 57.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.691 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -95.99 -177.89 4.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -59.44 142.31 87.06 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.661 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -82.72 46.12 2.09 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.545 2.163 . . . . 0.0 112.472 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 43.6 t -57.51 -47.48 85.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.255 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.55 -32.51 70.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.738 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -63.18 -49.63 73.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.37 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -58.64 -47.72 83.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.543 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -56.57 -40.07 74.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.317 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.54 98.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . 0.511 HG23 HD11 ' A' ' 19' ' ' LEU . 57.0 mt -61.75 -39.98 85.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.742 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -62.65 -44.19 96.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -61.16 -55.35 33.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 87.2 t -58.28 -34.91 51.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.733 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -66.46 -38.48 87.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.497 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.588 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -64.5 -41.95 93.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -64.28 -33.36 75.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.328 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -76.9 -46.63 23.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.58 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -69.57 -17.9 63.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.279 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -125.65 26.76 6.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.22 -41.36 83.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.763 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -79.86 -15.47 79.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.396 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -118.53 83.82 22.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.591 0.234 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.36 -10.42 28.93 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.427 2.085 . . . . 0.0 112.319 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.74 -48.21 60.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.201 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.2 mm -62.91 -49.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.347 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.67 -52.02 67.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . 0.444 ' NZ ' ' HB2' ' B' ' 326' ' ' LYS . 0.1 OUTLIER -56.59 -36.19 69.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.596 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.41 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -61.22 -51.62 68.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.722 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.404 ' CZ ' HD11 ' B' ' 332' ' ' LEU . 27.1 t80 -53.87 -46.86 71.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.367 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 93.7 mt -57.28 -46.43 83.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.607 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -57.06 -41.85 79.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 327' ' ' ALA . 70.0 mt -59.54 -54.1 39.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.453 ' HB2' HD21 ' A' ' 13' ' ' LEU . 13.9 mt -60.12 -36.93 78.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.046 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -61.55 -47.96 83.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.672 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 50.6 m -59.79 -39.51 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.404 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -62.89 -42.01 99.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.621 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.53 -31.03 69.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.962 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -68.22 -53.39 25.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.5 -33.19 75.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -65.48 -55.78 16.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.036 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -61.39 -40.84 95.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -62.14 -38.88 90.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.649 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.49 84.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.647 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -63.74 -42.54 97.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.603 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.61 -25.93 57.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.99 89.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . 136.78 -117.51 1.59 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.436 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . -90.77 -101.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.372 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -65.2 147.48 53.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -157.07 -31.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 2.8 t 34.85 78.93 0.31 Allowed Pre-proline 0 N--CA 1.465 0.315 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.954 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.55 165.9 28.22 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -62.78 -60.45 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.271 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 57.3 tp -74.87 128.48 35.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 48.8 p -128.43 -179.04 4.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.96 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.07 -50.81 72.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.702 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.03 -45.74 91.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' B' ' 361' ' ' GLN . 29.7 tt0 -57.22 -37.91 72.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.723 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.507 ' O ' HG23 ' B' ' 362' ' ' VAL . 31.5 t -64.61 -57.84 9.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.462 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -49.08 -35.97 17.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.631 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.06 -52.36 49.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.256 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' B' ' 357' ' ' GLU . 79.2 mt-30 -60.42 -51.99 67.11 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.813 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.507 HG23 ' O ' ' B' ' 358' ' ' VAL . 16.8 t -57.45 -33.01 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.94 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.675 ' HA ' HD11 ' B' ' 373' ' ' LEU . . . -70.07 -36.13 74.71 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -64.6 -39.41 93.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.233 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 93.9 mt -69.06 -42.87 75.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -104.47 94.77 5.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.621 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' B' ' 367' ' ' LYS . 4.4 mmmp? -90.84 -7.85 51.16 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.575 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -129.09 -33.91 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.573 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -75.69 81.01 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.417 . . . . 0.0 111.211 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -77.47 -32.41 54.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.936 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -57.03 -48.54 78.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 10.6 mp -57.06 -52.83 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' B' ' 363' ' ' ALA . 16.0 mt -58.97 -32.8 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.82 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 71.1 m -64.06 -52.78 57.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.29 -36.71 73.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.155 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -71.07 -27.84 63.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.401 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -75.72 -33.26 52.09 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.107 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -55.96 -43.92 77.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 57.7 m-85 -60.76 -32.76 72.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.709 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 78.7 mt -81.01 155.73 72.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.8 112.95 2.14 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.522 2.148 . . . . 0.0 112.731 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.21 17.75 4.84 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.359 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.231 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' HD3' HE21 ' B' ' 339' ' ' GLN . 86.0 mtm180 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.79 0.329 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.47 ' HA ' ' HB2' ' A' ' 11' ' ' MET . 26.1 ptt? -136.88 14.01 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.717 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.637 HD22 HG12 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -113.61 -62.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.502 -179.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.637 HG12 HD22 ' A' ' 8' ' ' ASN . 45.1 mm -88.98 -61.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.138 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -54.33 -29.16 46.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB2' ' HA ' ' A' ' 7' ' ' MET . 16.6 tpt -62.06 -61.05 2.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.717 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.28 -29.78 69.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.292 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' B' ' 332' ' ' LEU . 2.2 mm? -59.16 -51.5 69.72 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.63 -41.35 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.265 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.11 69.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.937 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.86 -51.48 16.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.233 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.04 -29.52 69.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -72.68 -49.41 31.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.822 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.5 tp -71.35 -23.21 61.87 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.77 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.55 -38.59 84.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 7.0 tpm_? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.775 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 295' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 296' ' ' LEU . . . . . . . . . . . . . 53.4 tp -100.79 104.62 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 297' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -93.05 147.12 23.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 298' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -84.87 145.31 27.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.776 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 299' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -143.14 145.7 33.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 300' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 59.98 100.7 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.036 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 301' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.57 -2.79 3.63 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.51 2.14 . . . . 0.0 112.497 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' VAL . . . . . . . . . . . . . 39.7 t -65.2 -56.53 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.037 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 303' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.05 -33.44 75.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.081 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 304' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -64.92 -50.65 65.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 305' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -62.06 -36.75 82.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 306' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -66.14 -37.08 84.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 307' ' ' ALA . . . . . . . . . . . . . . . -65.79 -43.66 88.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.731 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 308' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.5 -41.86 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 309' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.5 -33.94 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.189 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 310' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -67.5 -55.47 13.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 311' ' ' VAL . . . . . . . . . . . . . 60.8 t -59.07 -38.48 74.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.449 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 312' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -64.92 -38.22 90.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.109 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 313' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.76 -49.47 76.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 314' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.13 -41.84 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 315' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -66.42 -37.13 84.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.154 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 316' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -81.34 -18.04 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 317' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -80.63 -45.6 17.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.745 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 318' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -102.96 31.49 4.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -55.95 -35.09 66.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.802 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 320' ' ' GLY . . . . . . . . . . . . . . . -65.52 -33.94 87.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.345 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 321' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -117.79 91.41 38.9 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-O 120.413 0.149 . . . . 0.0 110.714 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -64.51 -24.09 63.87 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.366 2.044 . . . . 0.0 112.27 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 323' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.38 -32.38 72.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 324' ' ' ILE . . . . . . . . . . . . . 37.0 mm -69.09 -44.73 80.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 325' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -64.91 -43.37 93.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -62.4 -39.73 94.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.201 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' ALA . . . . . 0.419 ' O ' HG13 ' B' ' 331' ' ' ILE . . . -63.07 -43.27 99.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.465 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.416 ' O ' HD12 ' B' ' 332' ' ' LEU . 69.2 t80 -57.04 -62.11 1.98 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.11 179.314 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 96.0 mt -54.58 -31.65 57.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.319 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.85 -40.56 97.83 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.227 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' ILE . . . . . 0.419 HG13 ' O ' ' B' ' 327' ' ' ALA . 79.2 mt -65.15 -53.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.321 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' LEU . . . . . 0.503 ' HB3' HD21 ' A' ' 13' ' ' LEU . 5.8 mp -59.97 -32.06 70.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.72 -46.08 69.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' THR . . . . . . . . . . . . . 30.6 m -61.73 -44.61 96.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.78 -45.52 94.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.716 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.75 -39.09 93.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.34 -53.21 38.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' GLU . . . . . 0.575 ' HG2' ' HB2' ' B' ' 353' ' ' LEU . 0.2 OUTLIER -63.99 -23.95 67.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 -179.787 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLN . . . . . 0.425 HE21 ' HD3' ' A' ' 6' ' ' ARG . 1.4 tm0? -71.41 -48.54 49.08 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.318 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -64.6 -37.22 86.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' ASN . . . . . 0.55 HD22 ' N ' ' B' ' 341' ' ' ASN . 0.9 OUTLIER -69.0 -39.09 79.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ALA . . . . . . . . . . . . . . . -64.63 -48.2 75.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -62.65 -44.34 96.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.77 -31.44 72.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ALA . . . . . . . . . . . . . . . -94.67 47.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLY . . . . . . . . . . . . . . . -56.05 100.18 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.551 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' GLY . . . . . . . . . . . . . . . 166.39 -112.28 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -109.45 97.43 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -163.53 128.07 2.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.64 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' THR . . . . . . . . . . . . . 5.1 t -102.08 125.01 38.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.408 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.48 174.48 8.26 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.561 2.174 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.84 -49.1 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . 0.575 ' HB2' ' HG2' ' B' ' 338' ' ' GLU . 4.4 mm? -94.3 109.88 21.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 68.1 p -111.68 -178.47 3.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.43 -45.16 92.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -66.73 -47.22 73.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.062 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -57.7 -47.87 81.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' VAL . . . . . 0.478 ' O ' HG23 ' B' ' 362' ' ' VAL . 41.6 t -59.55 -57.55 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -51.06 -34.89 31.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.716 0.293 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -64.22 -59.04 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -58.36 -50.61 73.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 358' ' ' VAL . 59.6 t -55.3 -35.16 35.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.467 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' B' ' 373' ' ' LEU . . . -71.25 -34.4 70.7 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.563 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.82 -39.01 92.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.239 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.05 -39.93 75.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.519 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -107.5 78.37 1.2 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -90.68 -25.57 20.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.798 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -100.21 -1.35 36.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.824 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 369' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -141.14 86.31 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.566 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 370' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -76.69 -20.34 56.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.03 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 371' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -47.72 -41.31 22.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.254 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 372' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.96 -44.72 95.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 373' ' ' LEU . . . . . 0.46 HD21 ' HA ' ' B' ' 363' ' ' ALA . 3.9 mm? -62.95 -36.16 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 374' ' ' SER . . . . . . . . . . . . . 47.5 t -63.61 -54.78 30.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.697 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 375' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -26.5 67.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -77.69 -25.22 49.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.6 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' GLY . . . . . . . . . . . . . . . -84.05 -37.57 11.22 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.056 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 378' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -57.18 -24.02 51.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.731 0.301 . . . . 0.0 111.049 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' PHE . . . . . 0.498 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 31.2 m-85 -79.98 -43.71 21.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.916 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' LEU . . . . . . . . . . . . . 80.6 mt -60.08 143.17 88.66 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.64 163.5 37.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.491 2.128 . . . . 0.0 112.415 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 57.83 17.54 4.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.111 179.953 . . . . . . . . 0 0 . 1 stop_ save_